N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine

C17H27N — CID 2728111

IUPACN-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCc2ccccc2)C1
InChIInChI=1S/C17H27N/c1-13(2)16-10-9-14(3)11-17(16)18-12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyQVMPHRHVMPNHQF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.24
Rot. Bonds4

About N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 2728111) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID2728111
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCc2ccccc2)C1
InChIInChI=1S/C17H27N/c1-13(2)16-10-9-14(3)11-17(16)18-12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyQVMPHRHVMPNHQF-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 43080707
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
CID 66573625
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184
5-methyl-N-[(3-nitrophenyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 43710039
5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82708859
N-[(2,6-difluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710127
5-methyl-N-(2-phenylsulfanylethyl)-2-propan-2-ylcyclohexan-1-amine
CID 60664609
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 60960720
2-methyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951249
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 2728111) is N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is QVMPHRHVMPNHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)16-10-9-14(3)11-17(16)18-12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3.
What are the key properties of N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 2728111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).