N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine

C13H27N — CID 115782896

IUPACN-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine
SMILESCCNC(CC(C)C)C1(C)CCCC1
InChIInChI=1S/C13H27N/c1-5-14-12(10-11(2)3)13(4)8-6-7-9-13/h11-12,14H,5-10H2,1-4H3
InChIKeyQMVRFZGDCAAAPL-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds5

About N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine

N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine (PubChem CID 115782896) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine
PubChem CID115782896
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine
SMILESCCNC(CC(C)C)C1(C)CCCC1
InChIInChI=1S/C13H27N/c1-5-14-12(10-11(2)3)13(4)8-6-7-9-13/h11-12,14H,5-10H2,1-4H3
InChIKeyQMVRFZGDCAAAPL-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine (CID 115782896) is N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine is CCNC(CC(C)C)C1(C)CCCC1.
What is the InChIKey of N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine?
The InChIKey is QMVRFZGDCAAAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-14-12(10-11(2)3)13(4)8-6-7-9-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine?
N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(1-methylcyclopentyl)butan-1-amine is sourced from PubChem (CID 115782896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).