heptane-1,4-diamine

C7H18N2 — CID 18547393

IUPACheptane-1,4-diamine
SMILESCCCC(N)CCCN
InChIInChI=1S/C7H18N2/c1-2-4-7(9)5-3-6-8/h7H,2-6,8-9H2,1H3
InChIKeyAPWFJLJAQRZQIV-UHFFFAOYSA-N
MW130.24 g/mol
LogP0.85
Rot. Bonds5

About heptane-1,4-diamine

heptane-1,4-diamine (PubChem CID 18547393) has the molecular formula C7H18N2 and a molecular weight of 130.24 g/mol. Its IUPAC name is heptane-1,4-diamine.

Molecular Properties

Compound Nameheptane-1,4-diamine
PubChem CID18547393
Molecular FormulaC7H18N2
Molecular Weight130.24 g/mol
Exact Mass130.15
IUPAC Nameheptane-1,4-diamine
SMILESCCCC(N)CCCN
InChIInChI=1S/C7H18N2/c1-2-4-7(9)5-3-6-8/h7H,2-6,8-9H2,1H3
InChIKeyAPWFJLJAQRZQIV-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tridecane-1,4,7,10-tetramine
CID 175128174
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
tridecane-1,4,7,10,13-pentamine
CID 86224803
undecane-1,6-diamine
CID 18419788
octadecane-1,5-diamine
CID 154229011
nonadecane-1,13-diamine
CID 102135569
1-N-(4-aminobutyl)heptane-1,4-diamine
CID 22395282
(4R)-tridecan-4-amine
CID 150614684
octane-1,4,8-triamine
CID 18544198
azane;heptan-4-amine
CID 118430725
hexane-1,4-diamine;hydrochloride
CID 118144198
decan-4-amine;hydrochloride
CID 87728109

Frequently Asked Questions

What is the IUPAC name of heptane-1,4-diamine?
The IUPAC name of heptane-1,4-diamine (CID 18547393) is heptane-1,4-diamine.
What is the SMILES notation for heptane-1,4-diamine?
The canonical SMILES for heptane-1,4-diamine is CCCC(N)CCCN.
What is the InChIKey of heptane-1,4-diamine?
The InChIKey is APWFJLJAQRZQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-2-4-7(9)5-3-6-8/h7H,2-6,8-9H2,1H3.
What are the key properties of heptane-1,4-diamine?
heptane-1,4-diamine has a molecular weight of 130.24 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,4-diamine is sourced from PubChem (CID 18547393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).