5-methylhex-4-ene-1,4-diamine

C7H16N2 — CID 174962956

IUPAC5-methylhex-4-ene-1,4-diamine
SMILESCC(C)=C(N)CCCN
InChIInChI=1S/C7H16N2/c1-6(2)7(9)4-3-5-8/h3-5,8-9H2,1-2H3
InChIKeyFIRQAVHFSPCCGZ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.98
Rot. Bonds3

About 5-methylhex-4-ene-1,4-diamine

5-methylhex-4-ene-1,4-diamine (PubChem CID 174962956) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 5-methylhex-4-ene-1,4-diamine.

Molecular Properties

Compound Name5-methylhex-4-ene-1,4-diamine
PubChem CID174962956
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name5-methylhex-4-ene-1,4-diamine
SMILESCC(C)=C(N)CCCN
InChIInChI=1S/C7H16N2/c1-6(2)7(9)4-3-5-8/h3-5,8-9H2,1-2H3
InChIKeyFIRQAVHFSPCCGZ-UHFFFAOYSA-N
XLogP0.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dimethylpent-3-ene-1,1-diamine
CID 87323071
(E)-5-methylhept-5-ene-1,6-diamine
CID 87894692
(E)-3-methylpent-3-ene-1,4-diamine;dihydrobromide
CID 88212430
(Z)-3-methylpent-2-ene-2,4-diamine
CID 88299653
3-Ethylpent-2-ene-1,2-diamine
CID 88489670
(Z)-2-butylbut-2-ene-1,1,3-triamine
CID 135293238
Ethane;2,5,6-trimethylhepta-2,5-dien-3-amine
CID 142055317
2-Methylhex-2-en-3-amine
CID 143858745
8-Methylnon-7-ene-1,7-diamine
CID 149651052
ethane;(Z)-3-methylpent-2-ene-2,4-diamine
CID 155700173
(E)-2-ethylbut-2-ene-1,3-diamine
CID 156140272
[(E)-1,7-diamino-2-methylhept-2-en-3-yl]-methylidyneazanium
CID 163869044

Frequently Asked Questions

What is the IUPAC name of 5-methylhex-4-ene-1,4-diamine?
The IUPAC name of 5-methylhex-4-ene-1,4-diamine (CID 174962956) is 5-methylhex-4-ene-1,4-diamine.
What is the SMILES notation for 5-methylhex-4-ene-1,4-diamine?
The canonical SMILES for 5-methylhex-4-ene-1,4-diamine is CC(C)=C(N)CCCN.
What is the InChIKey of 5-methylhex-4-ene-1,4-diamine?
The InChIKey is FIRQAVHFSPCCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)7(9)4-3-5-8/h3-5,8-9H2,1-2H3.
What are the key properties of 5-methylhex-4-ene-1,4-diamine?
5-methylhex-4-ene-1,4-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-4-ene-1,4-diamine is sourced from PubChem (CID 174962956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).