(3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine

C17H32N10 — CID 58865053

IUPAC(3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESC=CCN(C)c1nc(N2C[C@H](N)C[C@@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C17H32N10/c1-3-4-25(2)15-22-16(26-7-11(18)5-12(19)8-26)24-17(23-15)27-9-13(20)6-14(21)10-27/h3,11-14H,1,4-10,18-21H2,2H3/t11-,12-,13-,14+/m1/s1
InChIKeyJQKCYYNVUGWDPT-SYQHCUMBSA-N
MW376.51 g/mol
LogP-1.78
Rot. Bonds5

About (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine

(3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine (PubChem CID 58865053) has the molecular formula C17H32N10 and a molecular weight of 376.51 g/mol. Its IUPAC name is (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine.

Molecular Properties

Compound Name(3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
PubChem CID58865053
Molecular FormulaC17H32N10
Molecular Weight376.51 g/mol
Exact Mass376.28
IUPAC Name(3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
SMILESC=CCN(C)c1nc(N2C[C@H](N)C[C@@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1
InChIInChI=1S/C17H32N10/c1-3-4-25(2)15-22-16(26-7-11(18)5-12(19)8-26)24-17(23-15)27-9-13(20)6-14(21)10-27/h3,11-14H,1,4-10,18-21H2,2H3/t11-,12-,13-,14+/m1/s1
InChIKeyJQKCYYNVUGWDPT-SYQHCUMBSA-N
XLogP-1.78
TPSA152.47 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(diethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104281
(3R,5S)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21104283
(3S,5R)-1-[4-amino-6-[(3S,5R)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 44418593
(3S,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-(methylamino)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 44418601
Allyl-(4,6-di-piperidin-1-yl-[1,3,5]triazin-2-yl)-amine
CID 3107860
6-(4-aminopiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 13271703
2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 18619905
4-N,6-N-diethyl-2-N,2-N-bis(prop-2-enyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 20148719
2-N,4-N-di(propan-2-yl)-6-N,6-N-bis(prop-2-enyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 20148720
2-N,2-N-bis(prop-2-enyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 20148725
4-N,6-N-dibutyl-2-N,2-N-bis(prop-2-enyl)-4-N,6-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 20148739
6-N-(2-methylheptan-2-yl)-4-N,4-N-bis(prop-2-enyl)-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 20520695

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The IUPAC name of (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine (CID 58865053) is (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine.
What is the SMILES notation for (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The canonical SMILES for (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine is C=CCN(C)c1nc(N2C[C@H](N)C[C@@H](N)C2)nc(N2C[C@H](N)C[C@H](N)C2)n1.
What is the InChIKey of (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
The InChIKey is JQKCYYNVUGWDPT-SYQHCUMBSA-N. The full InChI is InChI=1S/C17H32N10/c1-3-4-25(2)15-22-16(26-7-11(18)5-12(19)8-26)24-17(23-15)27-9-13(20)6-14(21)10-27/h3,11-14H,1,4-10,18-21H2,2H3/t11-,12-,13-,14+/m1/s1.
What are the key properties of (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine?
(3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine has a molecular weight of 376.51 g/mol, XLogP of -1.78, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[4-[(3S,5R)-3,5-diaminopiperidin-1-yl]-6-[methyl(prop-2-enyl)amino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine is sourced from PubChem (CID 58865053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).