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

C16H26N2 — CID 62604509

IUPACN-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ncccc1C
InChIInChI=1S/C16H26N2/c1-3-10-17-15(12-14-8-4-5-9-14)16-13(2)7-6-11-18-16/h6-7,11,14-15,17H,3-5,8-10,12H2,1-2H3
InChIKeyOVTHXEGBTVOFBB-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.01
Rot. Bonds6

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

N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine (PubChem CID 62604509) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
PubChem CID62604509
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ncccc1C
InChIInChI=1S/C16H26N2/c1-3-10-17-15(12-14-8-4-5-9-14)16-13(2)7-6-11-18-16/h6-7,11,14-15,17H,3-5,8-10,12H2,1-2H3
InChIKeyOVTHXEGBTVOFBB-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclopropyl-1-(3-ethyl-2-pyridinyl)ethyl]propan-1-amine
CID 82741722
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103164338
4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 64566396
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
1-cyclopropyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446508
N-(2-cyclopropyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81232087
N-(2-cyclobutyl-1-pyridin-4-ylethyl)propan-1-amine
CID 65457651
N-[2-cyclopentyl-1-(2,6-dimethyl-3-pyridinyl)ethyl]propan-1-amine
CID 105138910
4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 65095907

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine (CID 62604509) is N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine is CCCNC(CC1CCCC1)c1ncccc1C.
What is the InChIKey of N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
The InChIKey is OVTHXEGBTVOFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-10-17-15(12-14-8-4-5-9-14)16-13(2)7-6-11-18-16/h6-7,11,14-15,17H,3-5,8-10,12H2,1-2H3.
What are the key properties of N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine?
N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 62604509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).