(Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine

C9H18N2 — CID 143446378

IUPAC(Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine
SMILES[H]/N=C/CC(/C=C\C)CCNC
InChIInChI=1S/C9H18N2/c1-3-4-9(5-7-10)6-8-11-2/h3-4,7,9-11H,5-6,8H2,1-2H3/b4-3-,10-7+
InChIKeyDUMXNKHXOHZORZ-HQGAUJLMSA-N
MW154.26 g/mol
LogP1.83
Rot. Bonds6

About (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine

(Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine (PubChem CID 143446378) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine
PubChem CID143446378
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine
SMILES[H]/N=C/CC(/C=C\C)CCNC
InChIInChI=1S/C9H18N2/c1-3-4-9(5-7-10)6-8-11-2/h3-4,7,9-11H,5-6,8H2,1-2H3/b4-3-,10-7+
InChIKeyDUMXNKHXOHZORZ-HQGAUJLMSA-N
XLogP1.83
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-but-2-enyl-7-imino-N,6-dimethyloct-3-en-1-amine
CID 90691312
3-ethyl-N-methylhex-4-en-1-amine
CID 90905254
(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
1-imino-N-methylhept-5-en-2-amine
CID 123138426
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
7-ethyl-N,7-dimethyl-10-methyliminodec-4-en-1-amine
CID 123606269
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
CID 123641838
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
N,5-diethyl-3-methyl-9-methyliminonon-3-en-1-amine
CID 123998295
(E,3E)-3-ethylidene-2-(methyliminomethyl)oct-5-en-1-amine
CID 126536282
3-(2,3-dihydropyridin-4-yl)-N-methylbutan-1-amine
CID 134312786

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine?
The IUPAC name of (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine (CID 143446378) is (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine.
What is the SMILES notation for (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine?
The canonical SMILES for (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine is [H]/N=C/CC(/C=C\C)CCNC.
What is the InChIKey of (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine?
The InChIKey is DUMXNKHXOHZORZ-HQGAUJLMSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-9(5-7-10)6-8-11-2/h3-4,7,9-11H,5-6,8H2,1-2H3/b4-3-,10-7+.
What are the key properties of (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine?
(Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-iminoethyl)-N-methylhex-4-en-1-amine is sourced from PubChem (CID 143446378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).