3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine

C13H27N — CID 63821289

IUPAC3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
SMILESCC(C)(C)CCNCC1(C)CCCC1
InChIInChI=1S/C13H27N/c1-12(2,3)9-10-14-11-13(4)7-5-6-8-13/h14H,5-11H2,1-4H3
InChIKeyWQKXTQLOWMCBRO-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds4

About 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine

3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine (PubChem CID 63821289) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
PubChem CID63821289
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine
SMILESCC(C)(C)CCNCC1(C)CCCC1
InChIInChI=1S/C13H27N/c1-12(2,3)9-10-14-11-13(4)7-5-6-8-13/h14H,5-11H2,1-4H3
InChIKeyWQKXTQLOWMCBRO-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylcyclohexyl)methylamino]ethanol
CID 106827219
2-chloro-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 130601571
1-[(3,3-dimethylbutylamino)methyl]cyclobutane-1-carbonitrile
CID 115245405
2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 115426986
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 115244264
2-methyl-1-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 103734842
N'-[(1-methylcyclohexyl)methyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 106827227
1-[(3,3-dimethylbutylamino)methyl]cyclopropane-1-carbonitrile
CID 115242448
3,3-dimethyl-1-N-[(1-methylcyclopentyl)methyl]butane-1,2-diamine
CID 112556001
4,4-dimethyl-5-[(1-methylcyclopentyl)methylamino]pentanenitrile
CID 115653658
N-[(1-methylcyclopentyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63820774
2-methyl-2-[[(1-methylcyclopentyl)methylamino]methyl]butan-1-ol
CID 81418444

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine (CID 63821289) is 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine is CC(C)(C)CCNCC1(C)CCCC1.
What is the InChIKey of 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine?
The InChIKey is WQKXTQLOWMCBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)9-10-14-11-13(4)7-5-6-8-13/h14H,5-11H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine?
3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(1-methylcyclopentyl)methyl]butan-1-amine is sourced from PubChem (CID 63821289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).