(E)-2-methylhex-1-ene-1,6-diamine

C7H16N2 — CID 122661834

IUPAC(E)-2-methylhex-1-ene-1,6-diamine
SMILESC/C(=C\N)CCCCN
InChIInChI=1S/C7H16N2/c1-7(6-9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/b7-6+
InChIKeyMPGUYBHLPOLREJ-VOTSOKGWSA-N
MW128.22 g/mol
LogP0.98
Rot. Bonds4

About (E)-2-methylhex-1-ene-1,6-diamine

(E)-2-methylhex-1-ene-1,6-diamine (PubChem CID 122661834) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-2-methylhex-1-ene-1,6-diamine.

Molecular Properties

Compound Name(E)-2-methylhex-1-ene-1,6-diamine
PubChem CID122661834
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-2-methylhex-1-ene-1,6-diamine
SMILESC/C(=C\N)CCCCN
InChIInChI=1S/C7H16N2/c1-7(6-9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/b7-6+
InChIKeyMPGUYBHLPOLREJ-VOTSOKGWSA-N
XLogP0.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methylhex-4-en-1-amine
CID 55285525
(1Z)-2,5-dimethylhexa-1,5-dien-1-amine
CID 145123589
4-methylnon-3-en-1-amine
CID 79593569
5-aminopentanamide;ethane
CID 145257040
5-amino-2-propan-2-ylidenepentanal
CID 173295367
7-iminooctan-1-amine
CID 174433043
(2E)-7-amino-2-ethylideneheptanoic acid
CID 172696017
hexane-1,6-diamine;methanamine
CID 174275715
11-aminoundecanoic acid;ethane
CID 144914161
6-amino-2-methyliminohexanal
CID 163515428
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
acetic acid;azane;butane-1,4-diamine;methanamine
CID 173169975

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylhex-1-ene-1,6-diamine?
The IUPAC name of (E)-2-methylhex-1-ene-1,6-diamine (CID 122661834) is (E)-2-methylhex-1-ene-1,6-diamine.
What is the SMILES notation for (E)-2-methylhex-1-ene-1,6-diamine?
The canonical SMILES for (E)-2-methylhex-1-ene-1,6-diamine is C/C(=C\N)CCCCN.
What is the InChIKey of (E)-2-methylhex-1-ene-1,6-diamine?
The InChIKey is MPGUYBHLPOLREJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(6-9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/b7-6+.
What are the key properties of (E)-2-methylhex-1-ene-1,6-diamine?
(E)-2-methylhex-1-ene-1,6-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylhex-1-ene-1,6-diamine is sourced from PubChem (CID 122661834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).