N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine

C15H31N — CID 63522044

IUPACN-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)CC1CCCC1
InChIInChI=1S/C15H31N/c1-12(2)14(11-16-15(3,4)5)10-13-8-6-7-9-13/h12-14,16H,6-11H2,1-5H3
InChIKeyQJBVUNOSDRRRPF-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds5

About N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine

N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine (PubChem CID 63522044) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
PubChem CID63522044
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
SMILESCC(C)C(CNC(C)(C)C)CC1CCCC1
InChIInChI=1S/C15H31N/c1-12(2)14(11-16-15(3,4)5)10-13-8-6-7-9-13/h12-14,16H,6-11H2,1-5H3
InChIKeyQJBVUNOSDRRRPF-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine
CID 107446536
2-(cyclopentylmethyl)-3-methyl-N-propylbutan-1-amine
CID 63522393
[2-(chloromethyl)-3-methylbutyl]cyclopentane
CID 66035214
1-N-tert-butyl-2-N-(cyclopentylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 63657347
1-cyclopentyl-3,3-dimethylbutane-2-thiol
CID 145173372
N-tert-butyl-2-(2-cyclopentylethyl)-4-methylpentan-1-amine
CID 114192485
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 63656930
N-tert-butyl-2-cyclopentyloxy-3-methylbutan-1-amine
CID 62446329
N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
CID 107446700
3-[(3-cyclopentyl-2-hydroxypropyl)amino]-3-methylbutan-2-ol
CID 103158372

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine (CID 63522044) is N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine is CC(C)C(CNC(C)(C)C)CC1CCCC1.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine?
The InChIKey is QJBVUNOSDRRRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-12(2)14(11-16-15(3,4)5)10-13-8-6-7-9-13/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine?
N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 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-(cyclopentylmethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 63522044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).