N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine

C16H29N — CID 58476300

IUPACN-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine
SMILESC=C(NC1CCC(CC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C16H29N/c1-12(14-7-8-14)17-15-9-5-13(6-10-15)11-16(2,3)4/h13-15,17H,1,5-11H2,2-4H3
InChIKeyZQCQSBQBXORFAW-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.49
Rot. Bonds4

About N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine

N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine (PubChem CID 58476300) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine
PubChem CID58476300
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine
SMILESC=C(NC1CCC(CC(C)(C)C)CC1)C1CC1
InChIInChI=1S/C16H29N/c1-12(14-7-8-14)17-15-9-5-13(6-10-15)11-16(2,3)4/h13-15,17H,1,5-11H2,2-4H3
InChIKeyZQCQSBQBXORFAW-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine with MolForge

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Related Compounds

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine
CID 163294986
N-hex-1-en-2-yl-4-methylcyclohexan-1-amine
CID 67593365
8-cyclohexyl-5,5-dimethyl-N-prop-1-en-2-yloctan-1-amine
CID 68257574
trans-(2R,5S)-N-(1-cyclopropylethenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 89058305
N-(1-cyclohexylethenyl)cyclopropanamine
CID 89308023
4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine
CID 122679841
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine
CID 126714591
3-(aminomethyl)-5-ethyl-3,5-dimethyl-N-(3-methylcyclopropen-1-yl)cyclohexan-1-amine
CID 126746317
3,3,5-trimethyl-5-[(pent-1-en-2-ylamino)methyl]-N-propan-2-ylcyclohexan-1-amine
CID 126746352
4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
CID 129152420

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine?
The IUPAC name of N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine (CID 58476300) is N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine is C=C(NC1CCC(CC(C)(C)C)CC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine?
The InChIKey is ZQCQSBQBXORFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(14-7-8-14)17-15-9-5-13(6-10-15)11-16(2,3)4/h13-15,17H,1,5-11H2,2-4H3.
What are the key properties of N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine?
N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 58476300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).