N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine

C12H22N2 — CID 130849495

IUPACN-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine
SMILESCC/N=C1\C=C(NCC)CC(C)(C)C1
InChIInChI=1S/C12H22N2/c1-5-13-10-7-11(14-6-2)9-12(3,4)8-10/h7,13H,5-6,8-9H2,1-4H3/b14-11+
InChIKeyMTBJVJDJYWPKIG-SDNWHVSQSA-N
MW194.32 g/mol
LogP2.76
Rot. Bonds3

About N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine

N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine (PubChem CID 130849495) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine.

Molecular Properties

Compound NameN-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine
PubChem CID130849495
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine
SMILESCC/N=C1\C=C(NCC)CC(C)(C)C1
InChIInChI=1S/C12H22N2/c1-5-13-10-7-11(14-6-2)9-12(3,4)8-10/h7,13H,5-6,8-9H2,1-4H3/b14-11+
InChIKeyMTBJVJDJYWPKIG-SDNWHVSQSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.76
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

5,5-dimethyl-3-piperidin-1-ium-1-ylidene-N-(3-piperidin-1-ylpropyl)cyclohexen-1-amine
CID 2323280
Pyrrolidine, 4,4-dimethyl-2-(4,4,5-trimethyl-1-pyrrolin-2-yl)methylene-
CID 171384716
((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
CID 11412728
N-[1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-2-methylpropan-1-amine
CID 29925431
N-[(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)prop-1-en-2-yl]-1-methylcyclohexan-1-amine
CID 70574446
3-tert-butyl-2-ethyl-5,6-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 71220612
5-(6-Methyl-3,4-dihydropyridine-4-carboximidoyl)-1,2,3,6-tetrahydropyridin-4-amine
CID 87160518
(Z)-N,2,2,4-tetramethyl-7-(propylideneamino)oct-6-en-4-amine
CID 91119275
5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine
CID 129311820
1-(3-but-3-enyl-7-methylidene-3-propyl-2,4-dihydro-1H-azepin-6-yl)-N-methylpropan-1-imine
CID 135141830
(E)-N-ethyl-5,5-dimethyl-4-methyliminohex-2-en-2-amine
CID 139378380
N-[2-(7-methyl-2-pentyl-4H-azepin-6-yl)ethyl]prop-1-en-2-amine
CID 139384277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine?
The IUPAC name of N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine (CID 130849495) is N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine.
What is the SMILES notation for N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine?
The canonical SMILES for N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine is CC/N=C1\C=C(NCC)CC(C)(C)C1.
What is the InChIKey of N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine?
The InChIKey is MTBJVJDJYWPKIG-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-13-10-7-11(14-6-2)9-12(3,4)8-10/h7,13H,5-6,8-9H2,1-4H3/b14-11+.
What are the key properties of N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine?
N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-ethylimino-5,5-dimethylcyclohexen-1-amine is sourced from PubChem (CID 130849495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).