N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine

C17H33N — CID 104575931

IUPACN-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33N/c1-12(2)18-11-14-10-16(14)13-6-8-15(9-7-13)17(3,4)5/h12-16,18H,6-11H2,1-5H3
InChIKeyOCSXAUYYSXJVGR-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.47
Rot. Bonds4

About N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine

N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 104575931) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
PubChem CID104575931
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1CC1C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H33N/c1-12(2)18-11-14-10-16(14)13-6-8-15(9-7-13)17(3,4)5/h12-16,18H,6-11H2,1-5H3
InChIKeyOCSXAUYYSXJVGR-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 104575933
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 81030393
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-2-amine
CID 81021865
N-[(4-tert-butyl-2-cyclopropylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 81030772
N-[(2-cycloheptyl-4-methylcyclohexyl)methyl]propan-2-amine
CID 82935222
N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
CID 81031059
N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
CID 81022007
N-[(2-cyclopropyl-4,4-dimethylcyclohexyl)methyl]propan-2-amine
CID 81031172
N-[[2-(oxan-4-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030971
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
N-[[2-(3-ethylcyclohexyl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032192

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine (CID 104575931) is N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine is CC(C)NCC1CC1C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is OCSXAUYYSXJVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-12(2)18-11-14-10-16(14)13-6-8-15(9-7-13)17(3,4)5/h12-16,18H,6-11H2,1-5H3.
What are the key properties of N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine?
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 104575931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).