7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine

C13H33N5 — CID 172704929

IUPAC7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
SMILESNCCCNCCCNCCCC(N)CCCN
InChIInChI=1S/C13H33N5/c14-7-1-5-13(16)6-2-9-17-11-4-12-18-10-3-8-15/h13,17-18H,1-12,14-16H2
InChIKeyDLMWZVBVLCKMLM-UHFFFAOYSA-N
MW259.44 g/mol
LogP-0.25
Rot. Bonds14

About 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine

7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine (PubChem CID 172704929) has the molecular formula C13H33N5 and a molecular weight of 259.44 g/mol. Its IUPAC name is 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine.

Molecular Properties

Compound Name7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
PubChem CID172704929
Molecular FormulaC13H33N5
Molecular Weight259.44 g/mol
Exact Mass259.27
IUPAC Name7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
SMILESNCCCNCCCNCCCC(N)CCCN
InChIInChI=1S/C13H33N5/c14-7-1-5-13(16)6-2-9-17-11-4-12-18-10-3-8-15/h13,17-18H,1-12,14-16H2
InChIKeyDLMWZVBVLCKMLM-UHFFFAOYSA-N
XLogP-0.25
TPSA102.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 5-0.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
1-N-(4-aminobutyl)heptane-1,4-diamine
CID 22395282
tridecane-1,4,7,10,13-pentamine
CID 86224803
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
1-N-(3-aminopropyl)-1-N-[2-[2-[bis(3-aminopropyl)amino]ethylamino]ethyl]hexane-1,3,6-triamine
CID 174924471
6-N-hexylhexane-1,3,6-triamine
CID 87991067
octane-1,4,8-triamine
CID 18544198
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
pentacosane-1,13,25-triamine
CID 174653759
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552

Frequently Asked Questions

What is the IUPAC name of 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine?
The IUPAC name of 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine (CID 172704929) is 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine.
What is the SMILES notation for 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine?
The canonical SMILES for 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine is NCCCNCCCNCCCC(N)CCCN.
What is the InChIKey of 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine?
The InChIKey is DLMWZVBVLCKMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N5/c14-7-1-5-13(16)6-2-9-17-11-4-12-18-10-3-8-15/h13,17-18H,1-12,14-16H2.
What are the key properties of 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine?
7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine has a molecular weight of 259.44 g/mol, XLogP of -0.25, 14 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine is sourced from PubChem (CID 172704929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).