(Z)-N-methyl-3-methyliminohept-4-en-1-amine

C9H18N2 — CID 178172681

IUPAC(Z)-N-methyl-3-methyliminohept-4-en-1-amine
SMILESCC/C=C\C(CCNC)=N\C
InChIInChI=1S/C9H18N2/c1-4-5-6-9(11-3)7-8-10-2/h5-6,10H,4,7-8H2,1-3H3/b6-5-,11-9-
InChIKeyNENXGNYTHYHWJS-AZFXQDNWSA-N
MW154.26 g/mol
LogP1.63
Rot. Bonds5

About (Z)-N-methyl-3-methyliminohept-4-en-1-amine

(Z)-N-methyl-3-methyliminohept-4-en-1-amine (PubChem CID 178172681) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-N-methyl-3-methyliminohept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-methyliminohept-4-en-1-amine
PubChem CID178172681
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-N-methyl-3-methyliminohept-4-en-1-amine
SMILESCC/C=C\C(CCNC)=N\C
InChIInChI=1S/C9H18N2/c1-4-5-6-9(11-3)7-8-10-2/h5-6,10H,4,7-8H2,1-3H3/b6-5-,11-9-
InChIKeyNENXGNYTHYHWJS-AZFXQDNWSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.63
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

(Z)-N-ethyl-6-(methylamino)hex-2-enimidoyl fluoride
CID 132003988
(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine;molecular hydrogen
CID 166470500
(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen
CID 166470688
(Z)-1,1,1-trifluoro-4-methylimino-N-propan-2-yloct-5-en-2-amine
CID 166470873
(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine
CID 166942579
(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine
CID 166470501
(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine
CID 166470689
4-(but-3-en-2-ylideneamino)-N-propylbutan-1-amine
CID 54075907
1-imino-N-methylhept-5-en-2-amine
CID 123138426
(4Z,7Z)-6-ethylimino-N,2-dimethyl-7-propan-2-ylnona-4,7-dien-1-amine
CID 123139515
2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
CID 123169571
(Z)-4-methyliminohex-2-en-1-amine
CID 123191267

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-3-methyliminohept-4-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-methyliminohept-4-en-1-amine (CID 178172681) is (Z)-N-methyl-3-methyliminohept-4-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-methyliminohept-4-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-methyliminohept-4-en-1-amine is CC/C=C\C(CCNC)=N\C.
What is the InChIKey of (Z)-N-methyl-3-methyliminohept-4-en-1-amine?
The InChIKey is NENXGNYTHYHWJS-AZFXQDNWSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-9(11-3)7-8-10-2/h5-6,10H,4,7-8H2,1-3H3/b6-5-,11-9-.
What are the key properties of (Z)-N-methyl-3-methyliminohept-4-en-1-amine?
(Z)-N-methyl-3-methyliminohept-4-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-methyliminohept-4-en-1-amine is sourced from PubChem (CID 178172681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).