N-(2-methyliminoethyl)hex-4-en-2-amine

C9H18N2 — CID 123303353

IUPACN-(2-methyliminoethyl)hex-4-en-2-amine
SMILESCC=CCC(C)NC/C=N/C
InChIInChI=1S/C9H18N2/c1-4-5-6-9(2)11-8-7-10-3/h4-5,7,9,11H,6,8H2,1-3H3/b5-4?,10-7+
InChIKeyURZSMKNNZSVIJO-HBPCAZATSA-N
MW154.26 g/mol
LogP1.63
Rot. Bonds5

About N-(2-methyliminoethyl)hex-4-en-2-amine

N-(2-methyliminoethyl)hex-4-en-2-amine (PubChem CID 123303353) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(2-methyliminoethyl)hex-4-en-2-amine.

Molecular Properties

Compound NameN-(2-methyliminoethyl)hex-4-en-2-amine
PubChem CID123303353
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(2-methyliminoethyl)hex-4-en-2-amine
SMILESCC=CCC(C)NC/C=N/C
InChIInChI=1S/C9H18N2/c1-4-5-6-9(2)11-8-7-10-3/h4-5,7,9,11H,6,8H2,1-3H3/b5-4?,10-7+
InChIKeyURZSMKNNZSVIJO-HBPCAZATSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-3-(3H-pyrrol-5-yl)propan-1-amine
CID 117754027
1-imino-N-methylhept-5-en-2-amine
CID 123138426
N-(1-butan-2-yliminopropan-2-yl)hept-5-en-1-amine
CID 123147884
2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
CID 123215911
(Z)-5-[(Z)-but-2-enyl]imino-N-methylpent-3-en-2-amine
CID 129043125
(E)-N-ethyl-5-iminohex-3-en-1-amine
CID 129045484
N-(2,3-dihydropyridin-6-ylmethyl)propan-2-amine
CID 129045737
(3S)-N-(2-iminoethyl)-5-methylhex-4-en-3-amine
CID 130320077
N-ethyl-2-[[(Z)-pent-2-enylidene]amino]ethanamine
CID 132002063
N-[(2-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine
CID 132235563
N-ethyl-N'-[(Z)-5-iminopent-3-enyl]ethane-1,2-diamine
CID 137402233
N-ethyl-5-(methylideneamino)pent-3-en-2-amine
CID 138511218

Frequently Asked Questions

What is the IUPAC name of N-(2-methyliminoethyl)hex-4-en-2-amine?
The IUPAC name of N-(2-methyliminoethyl)hex-4-en-2-amine (CID 123303353) is N-(2-methyliminoethyl)hex-4-en-2-amine.
What is the SMILES notation for N-(2-methyliminoethyl)hex-4-en-2-amine?
The canonical SMILES for N-(2-methyliminoethyl)hex-4-en-2-amine is CC=CCC(C)NC/C=N/C.
What is the InChIKey of N-(2-methyliminoethyl)hex-4-en-2-amine?
The InChIKey is URZSMKNNZSVIJO-HBPCAZATSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-9(2)11-8-7-10-3/h4-5,7,9,11H,6,8H2,1-3H3/b5-4?,10-7+.
What are the key properties of N-(2-methyliminoethyl)hex-4-en-2-amine?
N-(2-methyliminoethyl)hex-4-en-2-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 N-(2-methyliminoethyl)hex-4-en-2-amine is sourced from PubChem (CID 123303353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).