N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine

C17H35N — CID 112570105

IUPACN-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCC(CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H35N/c1-16(2,3)12-11-15(13-18-17(4,5)6)14-9-7-8-10-14/h14-15,18H,7-13H2,1-6H3
InChIKeyMLJVVQPKNSYOPK-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds5

About N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine

N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine (PubChem CID 112570105) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
PubChem CID112570105
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCC(CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H35N/c1-16(2,3)12-11-15(13-18-17(4,5)6)14-9-7-8-10-14/h14-15,18H,7-13H2,1-6H3
InChIKeyMLJVVQPKNSYOPK-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928
N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730376
N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
CID 112570097
N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
CID 107446700
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886
N-tert-butyl-2,5,5-trimethylhexan-1-amine
CID 62529296
N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114531599
N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 82933669
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine
CID 112570119
N-tert-butyl-2-ethyl-5,5-dimethylhexan-1-amine
CID 63522763
N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 115926829

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine?
The IUPAC name of N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine (CID 112570105) is N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine?
The canonical SMILES for N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine is CC(C)(C)CCC(CNC(C)(C)C)C1CCCC1.
What is the InChIKey of N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine?
The InChIKey is MLJVVQPKNSYOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-16(2,3)12-11-15(13-18-17(4,5)6)14-9-7-8-10-14/h14-15,18H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine?
N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine is sourced from PubChem (CID 112570105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).