N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine

C13H27N — CID 138459636

IUPACN-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)CN(C)CC1CCCC1
InChIInChI=1S/C13H27N/c1-5-13(2,3)11-14(4)10-12-8-6-7-9-12/h12H,5-11H2,1-4H3
InChIKeyMGCXKVZFGOSJMM-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds5

About N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine

N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 138459636) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
PubChem CID138459636
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)CN(C)CC1CCCC1
InChIInChI=1S/C13H27N/c1-5-13(2,3)11-14(4)10-12-8-6-7-9-12/h12H,5-11H2,1-4H3
InChIKeyMGCXKVZFGOSJMM-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837
1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79813469
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
1-amino-3-[cyclohexylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 64819127
N-(cyclohexylmethyl)-3-(4-fluorophenyl)-N,2,2-trimethylpropan-1-amine
CID 143051621
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
3-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)propan-1-ol
CID 64826426
3-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64787635
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63495625
3-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64786271
2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
CID 62862235
N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
CID 115263271

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine (CID 138459636) is N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine is CCC(C)(C)CN(C)CC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is MGCXKVZFGOSJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-13(2,3)11-14(4)10-12-8-6-7-9-12/h12H,5-11H2,1-4H3.
What are the key properties of N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine?
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 138459636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).