6-methyliminohex-2-en-1-amine

C7H14N2 — CID 123732613

IUPAC6-methyliminohex-2-en-1-amine
SMILESC/N=C/CCC=CCN
InChIInChI=1S/C7H14N2/c1-9-7-5-3-2-4-6-8/h2,4,7H,3,5-6,8H2,1H3/b4-2?,9-7+
InChIKeyFQSMANIKXNADBL-OTGARJDMSA-N
MW126.20 g/mol
LogP0.98
Rot. Bonds4

About 6-methyliminohex-2-en-1-amine

6-methyliminohex-2-en-1-amine (PubChem CID 123732613) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 6-methyliminohex-2-en-1-amine.

Molecular Properties

Compound Name6-methyliminohex-2-en-1-amine
PubChem CID123732613
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name6-methyliminohex-2-en-1-amine
SMILESC/N=C/CCC=CCN
InChIInChI=1S/C7H14N2/c1-9-7-5-3-2-4-6-8/h2,4,7H,3,5-6,8H2,1H3/b4-2?,9-7+
InChIKeyFQSMANIKXNADBL-OTGARJDMSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Hept-3-en-1-imine
CID 57154508
2-Methyl-2,3-dihydropyridin-3-amine
CID 89039076
(Z)-hept-4-en-1-imine
CID 89269402
2-[(E)-but-2-enyl]iminoethanamine
CID 89368769
7-Iminohepta-2,4-dien-1-amine
CID 90718728
7-Iminohept-2-en-1-amine
CID 91081124
(3Z,5Z)-N'-ethylidenehepta-3,5-diene-1,7-diimine
CID 118901632
(Z)-4-methyliminohex-2-en-1-amine
CID 123191267
5-Iminopent-2-en-1-amine
CID 123203625
N-methyl-8-methyliminooct-2-en-1-amine
CID 123352487
2-But-2-enyliminoethanamine
CID 123576375
N-methylhex-4-en-1-imine
CID 123905621

Frequently Asked Questions

What is the IUPAC name of 6-methyliminohex-2-en-1-amine?
The IUPAC name of 6-methyliminohex-2-en-1-amine (CID 123732613) is 6-methyliminohex-2-en-1-amine.
What is the SMILES notation for 6-methyliminohex-2-en-1-amine?
The canonical SMILES for 6-methyliminohex-2-en-1-amine is C/N=C/CCC=CCN.
What is the InChIKey of 6-methyliminohex-2-en-1-amine?
The InChIKey is FQSMANIKXNADBL-OTGARJDMSA-N. The full InChI is InChI=1S/C7H14N2/c1-9-7-5-3-2-4-6-8/h2,4,7H,3,5-6,8H2,1H3/b4-2?,9-7+.
What are the key properties of 6-methyliminohex-2-en-1-amine?
6-methyliminohex-2-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyliminohex-2-en-1-amine is sourced from PubChem (CID 123732613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).