N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine

C12H25N — CID 90905067

IUPACN-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine
SMILESCC1CCC(C(C)N(C)C(C)C)C1
InChIInChI=1S/C12H25N/c1-9(2)13(5)11(4)12-7-6-10(3)8-12/h9-12H,6-8H2,1-5H3
InChIKeyFWUJOFGMLPUXFJ-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds3

About N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine

N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine (PubChem CID 90905067) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine
PubChem CID90905067
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine
SMILESCC1CCC(C(C)N(C)C(C)C)C1
InChIInChI=1S/C12H25N/c1-9(2)13(5)11(4)12-7-6-10(3)8-12/h9-12H,6-8H2,1-5H3
InChIKeyFWUJOFGMLPUXFJ-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Azabicyclo(3.2.1)octane, N,2-dimethyl-
CID 47256
(1R)-1-cyclopentyl-N,N-dimethylethanamine
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1,4-Dimethyl-2-n-propyl-pyrrolidine
CID 89311502
N,N-Diethyl-1,5-dimethylhexylamine
CID 3028627
2-Butan-2-yl-4-fluoro-1,4-dimethylpyrrolidine
CID 68383254
N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine
CID 165128366
1-[(4R)-2-fluoro-4-methylcyclopentyl]-N,N-dimethylethanamine
CID 167293202
N-(cyclopentylmethyl)-N-methylcyclohexanamine
CID 271614
N-(cyclopentylmethyl)-N-ethylethanamine
CID 70261785
(2S,4S)-1-butyl-2-hexyl-4-methylpyrrolidine
CID 134905764
(2S,4R)-1-butyl-2-hexyl-4-methylpyrrolidine
CID 134976000

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine?
The IUPAC name of N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine (CID 90905067) is N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine is CC1CCC(C(C)N(C)C(C)C)C1.
What is the InChIKey of N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine?
The InChIKey is FWUJOFGMLPUXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)13(5)11(4)12-7-6-10(3)8-12/h9-12H,6-8H2,1-5H3.
What are the key properties of N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine?
N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methylcyclopentyl)ethyl]propan-2-amine is sourced from PubChem (CID 90905067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).