N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine

C11H23N7 — CID 23213755

IUPACN'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine
SMILESNCCCNCCNCCC(N)c1ncncn1
InChIInChI=1S/C11H23N7/c12-3-1-4-14-6-7-15-5-2-10(13)11-17-8-16-9-18-11/h8-10,14-15H,1-7,12-13H2
InChIKeyUMPXQSBOEOLPBH-UHFFFAOYSA-N
MW253.35 g/mol
LogP-1.21
Rot. Bonds10

About N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine

N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine (PubChem CID 23213755) has the molecular formula C11H23N7 and a molecular weight of 253.35 g/mol. Its IUPAC name is N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine
PubChem CID23213755
Molecular FormulaC11H23N7
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC NameN'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine
SMILESNCCCNCCNCCC(N)c1ncncn1
InChIInChI=1S/C11H23N7/c12-3-1-4-14-6-7-15-5-2-10(13)11-17-8-16-9-18-11/h8-10,14-15H,1-7,12-13H2
InChIKeyUMPXQSBOEOLPBH-UHFFFAOYSA-N
XLogP-1.21
TPSA114.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
1-[4-(1-Aminoethyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 68969857
Methyl(isopropylamino)-sym-triazine
CID 22444768
2-(1,3,5-Triazin-2-yl)ethanamine
CID 13828988
1-(1,3,5-Triazin-2-yl)ethane-1,2-diamine
CID 18449259
N'-(1,3,5-triazin-2-ylmethyl)ethane-1,2-diamine
CID 21698261
4-methyl-N-pentyl-1,3,5-triazin-2-amine
CID 22089282
2-(1,3,5-Triazin-2-yl)piperazin-1-amine
CID 53691758
2-Piperidin-2-yl-1,3,5-triazine
CID 53880163
2-Piperazin-2-yl-1,3,5-triazine
CID 54211166
6-[2-(Propylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 56615576

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine (CID 23213755) is N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine is NCCCNCCNCCC(N)c1ncncn1.
What is the InChIKey of N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine?
The InChIKey is UMPXQSBOEOLPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N7/c12-3-1-4-14-6-7-15-5-2-10(13)11-17-8-16-9-18-11/h8-10,14-15H,1-7,12-13H2.
What are the key properties of N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine?
N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine has a molecular weight of 253.35 g/mol, XLogP of -1.21, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-aminopropylamino)ethyl]-1-(1,3,5-triazin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 23213755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).