N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine

C17H35N — CID 114192485

IUPACN-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine
SMILESCC(C)CC(CCC1CCCC1)CNC(C)(C)C
InChIInChI=1S/C17H35N/c1-14(2)12-16(13-18-17(3,4)5)11-10-15-8-6-7-9-15/h14-16,18H,6-13H2,1-5H3
InChIKeyNUVSHQMWYMBXDX-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.01
Rot. Bonds7

About N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine

N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine (PubChem CID 114192485) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine
PubChem CID114192485
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine
SMILESCC(C)CC(CCC1CCCC1)CNC(C)(C)C
InChIInChI=1S/C17H35N/c1-14(2)12-16(13-18-17(3,4)5)11-10-15-8-6-7-9-15/h14-16,18H,6-13H2,1-5H3
InChIKeyNUVSHQMWYMBXDX-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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

N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 63522044
1-N-tert-butyl-2-N-(cyclopentylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 63657347
N-tert-butyl-2-(3-ethylsulfonylpropyl)-4-methylpentan-1-amine
CID 65097386
2,4-dicyclopentyl-N-propan-2-ylbutan-1-amine
CID 114192567
2-(2-cyclohexylethyl)-N-propan-2-ylpentan-1-amine
CID 114192486
N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine
CID 107446536
N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 63656930
4-cyclopentyl-N-methylbutan-2-amine
CID 61343208
2-cyclopentylethyl-dimethyl-(3-methylbutyl)azanium
CID 177124332
N-tert-butyl-4-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62530501
4-methylpentylcyclopentane
CID 523530
[4-methylsulfanyl-3-(methylsulfanylmethyl)butyl]cyclohexane
CID 23432666

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine (CID 114192485) is N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine is CC(C)CC(CCC1CCCC1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine?
The InChIKey is NUVSHQMWYMBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-14(2)12-16(13-18-17(3,4)5)11-10-15-8-6-7-9-15/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine?
N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine has a molecular weight of 253.47 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine is sourced from PubChem (CID 114192485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).