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

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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).