3-propylheptane-1,3,7-triamine

C10H25N3 — CID 57060059

IUPAC3-propylheptane-1,3,7-triamine
SMILESCCCC(N)(CCN)CCCCN
InChIInChI=1S/C10H25N3/c1-2-5-10(13,7-9-12)6-3-4-8-11/h2-9,11-13H2,1H3
InChIKeyVGFXTLRJFDBXIC-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.96
Rot. Bonds8

About 3-propylheptane-1,3,7-triamine

3-propylheptane-1,3,7-triamine (PubChem CID 57060059) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-propylheptane-1,3,7-triamine.

Molecular Properties

Compound Name3-propylheptane-1,3,7-triamine
PubChem CID57060059
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name3-propylheptane-1,3,7-triamine
SMILESCCCC(N)(CCN)CCCCN
InChIInChI=1S/C10H25N3/c1-2-5-10(13,7-9-12)6-3-4-8-11/h2-9,11-13H2,1H3
InChIKeyVGFXTLRJFDBXIC-UHFFFAOYSA-N
XLogP0.96
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentadecylheptane-1,4,7-triamine
CID 156536321
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
3-ethyloctane-1,3-diamine
CID 91122286
11-decylhenicosan-11-amine
CID 19847882
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltricosan-12-amine;hydrate
CID 173445536
5-butylhexadecan-5-amine
CID 22244897
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185

Frequently Asked Questions

What is the IUPAC name of 3-propylheptane-1,3,7-triamine?
The IUPAC name of 3-propylheptane-1,3,7-triamine (CID 57060059) is 3-propylheptane-1,3,7-triamine.
What is the SMILES notation for 3-propylheptane-1,3,7-triamine?
The canonical SMILES for 3-propylheptane-1,3,7-triamine is CCCC(N)(CCN)CCCCN.
What is the InChIKey of 3-propylheptane-1,3,7-triamine?
The InChIKey is VGFXTLRJFDBXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-2-5-10(13,7-9-12)6-3-4-8-11/h2-9,11-13H2,1H3.
What are the key properties of 3-propylheptane-1,3,7-triamine?
3-propylheptane-1,3,7-triamine has a molecular weight of 187.33 g/mol, XLogP of 0.96, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylheptane-1,3,7-triamine is sourced from PubChem (CID 57060059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).