(E)-hex-1-ene-1,5-diamine

C6H14N2 — CID 88688497

IUPAC(E)-hex-1-ene-1,5-diamine
SMILESCC(N)CC/C=C/N
InChIInChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h3,5-6H,2,4,7-8H2,1H3/b5-3+
InChIKeyXVCWWQTUGHJJBN-HWKANZROSA-N
MW114.19 g/mol
LogP0.59
Rot. Bonds3

About (E)-hex-1-ene-1,5-diamine

(E)-hex-1-ene-1,5-diamine (PubChem CID 88688497) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (E)-hex-1-ene-1,5-diamine.

Molecular Properties

Compound Name(E)-hex-1-ene-1,5-diamine
PubChem CID88688497
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(E)-hex-1-ene-1,5-diamine
SMILESCC(N)CC/C=C/N
InChIInChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h3,5-6H,2,4,7-8H2,1H3/b5-3+
InChIKeyXVCWWQTUGHJJBN-HWKANZROSA-N
XLogP0.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylhex-1-en-1-amine
CID 87108942
hept-5-en-2-amine
CID 72784707
(E)-pent-1-ene-1,4-diamine
CID 143973690
(5R)-hexane-2,5-diamine
CID 144618459
(2R,3S)-3-methylheptane-2,6-diamine
CID 174083116
(2S)-pentan-2-amine
CID 6997344
pentan-2-amine;propane
CID 166536368
(1Z,5Z)-hepta-1,5-dien-1-amine
CID 152891623
(Z)-dodec-6-en-2-amine
CID 55253643
(E)-6-aminohex-5-ene-1,1-diol
CID 163840994
ethane;molecular hydrogen;pentan-2-amine
CID 178004416
docosane-2,21-diamine
CID 150079956

Frequently Asked Questions

What is the IUPAC name of (E)-hex-1-ene-1,5-diamine?
The IUPAC name of (E)-hex-1-ene-1,5-diamine (CID 88688497) is (E)-hex-1-ene-1,5-diamine.
What is the SMILES notation for (E)-hex-1-ene-1,5-diamine?
The canonical SMILES for (E)-hex-1-ene-1,5-diamine is CC(N)CC/C=C/N.
What is the InChIKey of (E)-hex-1-ene-1,5-diamine?
The InChIKey is XVCWWQTUGHJJBN-HWKANZROSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(8)4-2-3-5-7/h3,5-6H,2,4,7-8H2,1H3/b5-3+.
What are the key properties of (E)-hex-1-ene-1,5-diamine?
(E)-hex-1-ene-1,5-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-1-ene-1,5-diamine is sourced from PubChem (CID 88688497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).