N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine

C16H26N2 — CID 82937102

IUPACN-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1cccnc1)C1CCCC1
InChIInChI=1S/C16H26N2/c1-13(2)10-18-12-16(14-6-3-4-7-14)15-8-5-9-17-11-15/h5,8-9,11,13-14,16,18H,3-4,6-7,10,12H2,1-2H3
InChIKeyRHWOQIYILXPVPG-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.60
Rot. Bonds6

About N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine

N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine (PubChem CID 82937102) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine
PubChem CID82937102
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCC(c1cccnc1)C1CCCC1
InChIInChI=1S/C16H26N2/c1-13(2)10-18-12-16(14-6-3-4-7-14)15-8-5-9-17-11-15/h5,8-9,11,13-14,16,18H,3-4,6-7,10,12H2,1-2H3
InChIKeyRHWOQIYILXPVPG-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
N-[2-cyclohexyl-2-(3-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 79436985
N-[2-cyclohexyl-2-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 82932645
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(2S)-2-cyclopentyl-2-phenylethyl]-2-pyridin-3-ylacetamide
CID 95213041
1-cyclohexyl-N-methyl-1-pyridin-3-ylmethanamine
CID 60817955
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 104819456
(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
(1R)-1-cyclopropyl-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 28655253
3-(1-piperidin-4-ylpropyl)pyridine
CID 83908701

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine (CID 82937102) is N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine is CC(C)CNCC(c1cccnc1)C1CCCC1.
What is the InChIKey of N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine?
The InChIKey is RHWOQIYILXPVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)10-18-12-16(14-6-3-4-7-14)15-8-5-9-17-11-15/h5,8-9,11,13-14,16,18H,3-4,6-7,10,12H2,1-2H3.
What are the key properties of N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine?
N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-pyridin-3-ylethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 82937102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).