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-Azaspiro(4.4)nonane
CID 418904
1H-Azepine, hexahydro-3,3,5-trimethyl-
CID 118239
3,3-Diethylpyrrolidine
CID 19090605
4,4-Dimethylazepane hydrochloride
CID 66850259
1H-Azepine, hexahydro-3,5,5-trimethyl-
CID 118240
2-Tert-butylpyrrolidine
CID 4331746
7-Azaspiro[4.5]decane
CID 14448981
3-Ethyl-3-methylpiperidine
CID 17769937
N,2,2-trimethylcyclopentan-1-amine
CID 20604599
4,4-Dimethylazepane
CID 21479113
3-Methyl-3-propylpyrrolidine
CID 22393542
8-Azaspiro(4.5)decane hydrochloride
CID 22401229

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).