(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine

C12H24N2 — CID 177026198

IUPAC(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine
SMILESCC/C=C(\C=N\C)C(CC)CNCC
InChIInChI=1S/C12H24N2/c1-5-8-12(9-13-4)11(6-2)10-14-7-3/h8-9,11,14H,5-7,10H2,1-4H3/b12-8+,13-9+
InChIKeyKINPHIQNBHYPFO-QHKWOANTSA-N
MW196.34 g/mol
LogP2.66
Rot. Bonds7

About (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine

(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine (PubChem CID 177026198) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine
PubChem CID177026198
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine
SMILESCC/C=C(\C=N\C)C(CC)CNCC
InChIInChI=1S/C12H24N2/c1-5-8-12(9-13-4)11(6-2)10-14-7-3/h8-9,11,14H,5-7,10H2,1-4H3/b12-8+,13-9+
InChIKeyKINPHIQNBHYPFO-QHKWOANTSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.66
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)-8-fluoro-N,3-dimethyl-5-(propyliminomethyl)oct-4-en-2-amine
CID 146537270
5-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91459524
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
CID 123736016
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
N,3,6,7-tetramethyl-5-(methyliminomethyl)octa-4,7-dien-2-amine
CID 123919390
5-(azetidin-3-yl)-N,2-dimethylpent-2-en-1-imine
CID 123937374
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
CID 123998295
(E)-N,2-dimethyl-3-(methyliminomethyl)pent-3-en-1-amine
CID 129144965
(5E)-N-ethyl-3,6,8-trimethyl-2,3,4,7,8,9-hexahydroazecin-9-amine
CID 132037049
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786

Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine?
The IUPAC name of (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine (CID 177026198) is (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine.
What is the SMILES notation for (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine?
The canonical SMILES for (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine is CC/C=C(\C=N\C)C(CC)CNCC.
What is the InChIKey of (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine?
The InChIKey is KINPHIQNBHYPFO-QHKWOANTSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-8-12(9-13-4)11(6-2)10-14-7-3/h8-9,11,14H,5-7,10H2,1-4H3/b12-8+,13-9+.
What are the key properties of (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine?
(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine is sourced from PubChem (CID 177026198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).