3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine

C16H33N — CID 107187935

IUPAC3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)C1CCCC1C
InChIInChI=1S/C16H33N/c1-5-7-10-14(6-2)12-16(17-4)15-11-8-9-13(15)3/h13-17H,5-12H2,1-4H3
InChIKeyMBCUPBIDYSHURW-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds8

About 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine

3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine (PubChem CID 107187935) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine
PubChem CID107187935
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)C1CCCC1C
InChIInChI=1S/C16H33N/c1-5-7-10-14(6-2)12-16(17-4)15-11-8-9-13(15)3/h13-17H,5-12H2,1-4H3
InChIKeyMBCUPBIDYSHURW-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509
1-cyclopentyl-5-ethyl-N-methylnonan-3-amine
CID 115806235
1-(2,6-dimethylcyclohexyl)-N-methylbutan-1-amine
CID 83047113
N,4,4-trimethyl-1-(2-methylcyclopentyl)pentan-1-amine
CID 107188477
N-(2-ethylhexyl)-2-methylcyclopentan-1-amine
CID 63492296
1-(2-methylcyclopentyl)heptylhydrazine
CID 107193564
1-[(1R,2R)-2-methylcyclopentyl]pentan-1-ol
CID 102037625
N-methyl-1-(2-methylcyclopentyl)hex-5-en-1-amine
CID 107189131
[3-ethyl-1-(4-methylcyclohexyl)heptyl]hydrazine
CID 105210540
N-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419536

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine (CID 107187935) is 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine is CCCCC(CC)CC(NC)C1CCCC1C.
What is the InChIKey of 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine?
The InChIKey is MBCUPBIDYSHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-10-14(6-2)12-16(17-4)15-11-8-9-13(15)3/h13-17H,5-12H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine?
3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine is sourced from PubChem (CID 107187935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).