N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine

C12H22N2 — CID 86226128

IUPACN-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine
SMILESCC(C)/N=C1\CCCC=C1NC(C)C
InChIInChI=1S/C12H22N2/c1-9(2)13-11-7-5-6-8-12(11)14-10(3)4/h7,9-10,13H,5-6,8H2,1-4H3/b14-12+
InChIKeyXWZIENNOVNURIM-WYMLVPIESA-N
MW194.32 g/mol
LogP2.90
Rot. Bonds3

About N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine

N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine (PubChem CID 86226128) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine
PubChem CID86226128
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine
SMILESCC(C)/N=C1\CCCC=C1NC(C)C
InChIInChI=1S/C12H22N2/c1-9(2)13-11-7-5-6-8-12(11)14-10(3)4/h7,9-10,13H,5-6,8H2,1-4H3/b14-12+
InChIKeyXWZIENNOVNURIM-WYMLVPIESA-N
XLogP2.90
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 ≤ 52.90
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

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((1Z)-1-Methyl-2-(1-pyrrolin-2-yl)vinyl)(2-methylpropyl)amine
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N-[4-(cyclohexen-1-ylimino)hexan-3-yl]cyclohexanamine
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N-methyl-6-methyliminocyclohexen-1-amine
CID 59091503
(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine
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[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-ethyl-amine
CID 68983223

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine?
The IUPAC name of N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine (CID 86226128) is N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine.
What is the SMILES notation for N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine?
The canonical SMILES for N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine is CC(C)/N=C1\CCCC=C1NC(C)C.
What is the InChIKey of N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine?
The InChIKey is XWZIENNOVNURIM-WYMLVPIESA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)13-11-7-5-6-8-12(11)14-10(3)4/h7,9-10,13H,5-6,8H2,1-4H3/b14-12+.
What are the key properties of N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine?
N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-propan-2-yliminocyclohexen-1-amine is sourced from PubChem (CID 86226128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).