heptane-1,3,5-triamine

C7H19N3 — CID 89360326

IUPACheptane-1,3,5-triamine
SMILESCCC(N)CC(N)CCN
InChIInChI=1S/C7H19N3/c1-2-6(9)5-7(10)3-4-8/h6-7H,2-5,8-10H2,1H3
InChIKeyKMSIOBACEFAUGZ-UHFFFAOYSA-N
MW145.25 g/mol
LogP-0.21
Rot. Bonds5

About heptane-1,3,5-triamine

heptane-1,3,5-triamine (PubChem CID 89360326) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is heptane-1,3,5-triamine.

Molecular Properties

Compound Nameheptane-1,3,5-triamine
PubChem CID89360326
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Nameheptane-1,3,5-triamine
SMILESCCC(N)CC(N)CCN
InChIInChI=1S/C7H19N3/c1-2-6(9)5-7(10)3-4-8/h6-7H,2-5,8-10H2,1H3
InChIKeyKMSIOBACEFAUGZ-UHFFFAOYSA-N
XLogP-0.21
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(5R)-heptane-1,3,5,7-tetramine
CID 142330050
(5R)-heptane-3,5-diamine
CID 118180613
hexadecane-3,5-diamine
CID 175043722
azane;butane-1,3-diamine;pentane-1,3-diamine
CID 174966617
4-ethyloctane-1,6-diamine
CID 89464533
hydrogen sulfite;pentane-1,3-diamine
CID 174426349
octane-1,3,6,8-tetramine
CID 18680656
2-propylhexane-1,4-diamine
CID 174915124
3,10-diaminododecane-5,8-diol
CID 165390918
hexane-1,4-diamine;hydrochloride
CID 118144198
hexane-1,4-diamine;trihydrate
CID 173409010
tetradecane-3,6,9,12-tetramine
CID 140993886

Frequently Asked Questions

What is the IUPAC name of heptane-1,3,5-triamine?
The IUPAC name of heptane-1,3,5-triamine (CID 89360326) is heptane-1,3,5-triamine.
What is the SMILES notation for heptane-1,3,5-triamine?
The canonical SMILES for heptane-1,3,5-triamine is CCC(N)CC(N)CCN.
What is the InChIKey of heptane-1,3,5-triamine?
The InChIKey is KMSIOBACEFAUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-2-6(9)5-7(10)3-4-8/h6-7H,2-5,8-10H2,1H3.
What are the key properties of heptane-1,3,5-triamine?
heptane-1,3,5-triamine has a molecular weight of 145.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,3,5-triamine is sourced from PubChem (CID 89360326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).