(Z)-2-methyliminohex-3-en-1-amine

C7H14N2 — CID 123256608

IUPAC(Z)-2-methyliminohex-3-en-1-amine
SMILESCC/C=C\C(CN)=N\C
InChIInChI=1S/C7H14N2/c1-3-4-5-7(6-8)9-2/h4-5H,3,6,8H2,1-2H3/b5-4-,9-7-
InChIKeyUBRPSFNOTPEALW-PHSHQRSZSA-N
MW126.20 g/mol
LogP0.98
Rot. Bonds3

About (Z)-2-methyliminohex-3-en-1-amine

(Z)-2-methyliminohex-3-en-1-amine (PubChem CID 123256608) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (Z)-2-methyliminohex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyliminohex-3-en-1-amine
PubChem CID123256608
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(Z)-2-methyliminohex-3-en-1-amine
SMILESCC/C=C\C(CN)=N\C
InChIInChI=1S/C7H14N2/c1-3-4-5-7(6-8)9-2/h4-5H,3,6,8H2,1-2H3/b5-4-,9-7-
InChIKeyUBRPSFNOTPEALW-PHSHQRSZSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3-Fluoro-2,3-dihydropyridin-6-yl)methanamine
CID 91464248
(Z)-2-ethylimino-5-fluorohex-3-en-1-amine
CID 143075712
N-methylpent-3-en-2-imine
CID 15325554
3-Iminopyridine
CID 21332821
6-Methyl-2,3-dihydropyridine
CID 53833017
2,6-Dihydroazepin-3-imine
CID 57316147
N-methyl-1-(2H-pyrrol-5-yl)methanamine
CID 58270092
(Z)-pent-2-ene-1,4-diimine
CID 59089718
(Z)-N-methylpent-3-en-2-imine
CID 59451924
(E)-N-methylpent-3-en-2-imine
CID 59927792
2H-pyrrol-5-ylmethanamine
CID 67991228
4-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 70148626

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyliminohex-3-en-1-amine?
The IUPAC name of (Z)-2-methyliminohex-3-en-1-amine (CID 123256608) is (Z)-2-methyliminohex-3-en-1-amine.
What is the SMILES notation for (Z)-2-methyliminohex-3-en-1-amine?
The canonical SMILES for (Z)-2-methyliminohex-3-en-1-amine is CC/C=C\C(CN)=N\C.
What is the InChIKey of (Z)-2-methyliminohex-3-en-1-amine?
The InChIKey is UBRPSFNOTPEALW-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-4-5-7(6-8)9-2/h4-5H,3,6,8H2,1-2H3/b5-4-,9-7-.
What are the key properties of (Z)-2-methyliminohex-3-en-1-amine?
(Z)-2-methyliminohex-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyliminohex-3-en-1-amine is sourced from PubChem (CID 123256608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).