2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine

C35H57N7 — CID 69384441

IUPAC2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine
SMILESC1CCNCC1.CCCCCNc1ccc(N)cn1.c1ccc2nc(NCCCCCCN3CCCCC3)ccc2c1
InChIInChI=1S/C20H29N3.C10H17N3.C5H11N/c1(2-7-15-23-16-8-3-9-17-23)6-14-21-20-13-12-18-10-4-5-11-19(18)22-20;1-2-3-4-7-12-10-6-5-9(11)8-13-10;1-2-4-6-5-3-1/h4-5,10-13H,1-3,6-9,14-17H2,(H,21,22);5-6,8H,2-4,7,11H2,1H3,(H,12,13);6H,1-5H2
InChIKeyGPVZUJRMNJRWAE-UHFFFAOYSA-N
MW575.89 g/mol
LogP7.72
Rot. Bonds13

About 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine

2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine (PubChem CID 69384441) has the molecular formula C35H57N7 and a molecular weight of 575.89 g/mol. Its IUPAC name is 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine.

Molecular Properties

Compound Name2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine
PubChem CID69384441
Molecular FormulaC35H57N7
Molecular Weight575.89 g/mol
Exact Mass575.47
IUPAC Name2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine
SMILESC1CCNCC1.CCCCCNc1ccc(N)cn1.c1ccc2nc(NCCCCCCN3CCCCC3)ccc2c1
InChIInChI=1S/C20H29N3.C10H17N3.C5H11N/c1(2-7-15-23-16-8-3-9-17-23)6-14-21-20-13-12-18-10-4-5-11-19(18)22-20;1-2-3-4-7-12-10-6-5-9(11)8-13-10;1-2-4-6-5-3-1/h4-5,10-13H,1-3,6-9,14-17H2,(H,21,22);5-6,8H,2-4,7,11H2,1H3,(H,12,13);6H,1-5H2
InChIKeyGPVZUJRMNJRWAE-UHFFFAOYSA-N
XLogP7.72
TPSA91.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.89
LogP ≤ 57.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-dodecylquinolin-2-amine
CID 160510159
2-N-hexylpyridine-2,5-diamine
CID 21487111
1-pentylpiperazine;quinazolin-2-amine
CID 175024376
1-pentylpiperidine;pyrrolidine
CID 69027489
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]quinolin-2-amine
CID 11511026
5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 177158499
1-hexylpyrrolidine;2-methylbenzene-1,3-dicarboxylic acid;pyrrolidine
CID 174695142
N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine
CID 14022500
2H-benzotriazole;1-pentylpiperazine
CID 174694727
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778

Frequently Asked Questions

What is the IUPAC name of 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine?
The IUPAC name of 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine (CID 69384441) is 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine.
What is the SMILES notation for 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine?
The canonical SMILES for 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine is C1CCNCC1.CCCCCNc1ccc(N)cn1.c1ccc2nc(NCCCCCCN3CCCCC3)ccc2c1.
What is the InChIKey of 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine?
The InChIKey is GPVZUJRMNJRWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3.C10H17N3.C5H11N/c1(2-7-15-23-16-8-3-9-17-23)6-14-21-20-13-12-18-10-4-5-11-19(18)22-20;1-2-3-4-7-12-10-6-5-9(11)8-13-10;1-2-4-6-5-3-1/h4-5,10-13H,1-3,6-9,14-17H2,(H,21,22);5-6,8H,2-4,7,11H2,1H3,(H,12,13);6H,1-5H2.
What are the key properties of 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine?
2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine has a molecular weight of 575.89 g/mol, XLogP of 7.72, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-pentylpyridine-2,5-diamine;piperidine;N-(6-piperidin-1-ylhexyl)quinolin-2-amine is sourced from PubChem (CID 69384441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).