4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine

C16H29N — CID 138654499

IUPAC4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine
SMILESC=C(NC1CCC(C(C)(C)C)CC1)C1CC1C
InChIInChI=1S/C16H29N/c1-11-10-15(11)12(2)17-14-8-6-13(7-9-14)16(3,4)5/h11,13-15,17H,2,6-10H2,1,3-5H3
InChIKeyIRNCIAXIKIOQAS-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.35
Rot. Bonds3

About 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine

4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine (PubChem CID 138654499) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine
PubChem CID138654499
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine
SMILESC=C(NC1CCC(C(C)(C)C)CC1)C1CC1C
InChIInChI=1S/C16H29N/c1-11-10-15(11)12(2)17-14-8-6-13(7-9-14)16(3,4)5/h11,13-15,17H,2,6-10H2,1,3-5H3
InChIKeyIRNCIAXIKIOQAS-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
N-[3-(cyclopropylmethyl)pent-1-en-2-yl]-4-(1,1-difluoroethyl)cyclohexan-1-amine
CID 163294986
(1S,5S,6S)-5,7,7-trimethyl-3-methylidene-2-azabicyclo[4.1.0]heptane
CID 53955141
N-but-3-enyl-4-tert-butylcyclohexan-1-amine
CID 57591335
N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 58476300
N-hex-1-en-2-yl-4-methylcyclohexan-1-amine
CID 67593365
N-(3,6-dimethylhept-1-en-2-yl)-3-methyl-4-prop-1-en-2-ylcyclohexan-1-amine
CID 70333403
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine (CID 138654499) is 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine is C=C(NC1CCC(C(C)(C)C)CC1)C1CC1C.
What is the InChIKey of 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine?
The InChIKey is IRNCIAXIKIOQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-11-10-15(11)12(2)17-14-8-6-13(7-9-14)16(3,4)5/h11,13-15,17H,2,6-10H2,1,3-5H3.
What are the key properties of 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine?
4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2-methylcyclopropyl)ethenyl]cyclohexan-1-amine is sourced from PubChem (CID 138654499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).