4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine

C16H28N2 — CID 144654682

IUPAC4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
SMILESC=C/C(CN(C)C1CCC(CC)CC1)=N\C=C/C
InChIInChI=1S/C16H28N2/c1-5-12-17-15(7-3)13-18(4)16-10-8-14(6-2)9-11-16/h5,7,12,14,16H,3,6,8-11,13H2,1-2,4H3/b12-5-,17-15+
InChIKeyIGLYSLSINIOLLB-UGOKRYKLSA-N
MW248.41 g/mol
LogP4.05
Rot. Bonds6

About 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine

4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine (PubChem CID 144654682) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
PubChem CID144654682
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
SMILESC=C/C(CN(C)C1CCC(CC)CC1)=N\C=C/C
InChIInChI=1S/C16H28N2/c1-5-12-17-15(7-3)13-18(4)16-10-8-14(6-2)9-11-16/h5,7,12,14,16H,3,6,8-11,13H2,1-2,4H3/b12-5-,17-15+
InChIKeyIGLYSLSINIOLLB-UGOKRYKLSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
CID 144654672
N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane
CID 144654671
1-cyclohexyl-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 104750169
ethenol;ethylcyclopropane
CID 18331953
ethylcyclopentane;prop-1-ene
CID 142059151
[cyclopropyl(methyl)amino]methanol
CID 89240777
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155
N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79278136
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal
CID 62277389
N-butyl-4-ethyl-N-methylcyclohexan-1-amine;ethane
CID 155582825
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63567709
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine (CID 144654682) is 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine is C=C/C(CN(C)C1CCC(CC)CC1)=N\C=C/C.
What is the InChIKey of 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine?
The InChIKey is IGLYSLSINIOLLB-UGOKRYKLSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-12-17-15(7-3)13-18(4)16-10-8-14(6-2)9-11-16/h5,7,12,14,16H,3,6,8-11,13H2,1-2,4H3/b12-5-,17-15+.
What are the key properties of 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine?
4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine is sourced from PubChem (CID 144654682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).