N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine

C17H28N2 — CID 115799011

IUPACN-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H28N2/c1-4-19-16(15-8-7-11-18-13-15)17(12-14(2)3)9-5-6-10-17/h7-8,11,13-14,16,19H,4-6,9-10,12H2,1-3H3
InChIKeyLQYRXJCQVRQXAH-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.34
Rot. Bonds6

About N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine

N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine (PubChem CID 115799011) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
PubChem CID115799011
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine
SMILESCCNC(c1cccnc1)C1(CC(C)C)CCCC1
InChIInChI=1S/C17H28N2/c1-4-19-16(15-8-7-11-18-13-15)17(12-14(2)3)9-5-6-10-17/h7-8,11,13-14,16,19H,4-6,9-10,12H2,1-3H3
InChIKeyLQYRXJCQVRQXAH-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methylpropyl)cyclopentyl]-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134773
N-[(5-fluoro-3-pyridinyl)-[1-(2-methylpropyl)cyclopentyl]methyl]propan-1-amine
CID 115804175
N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine
CID 63821311
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097
N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 105040484
N-[(4,4-dimethylcyclohexyl)-pyridin-3-ylmethyl]ethanamine
CID 65392039
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115779478
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-phenylpropan-1-amine
CID 115793603
N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 105030313
N-[6-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799612

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine (CID 115799011) is N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine is CCNC(c1cccnc1)C1(CC(C)C)CCCC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine?
The InChIKey is LQYRXJCQVRQXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19-16(15-8-7-11-18-13-15)17(12-14(2)3)9-5-6-10-17/h7-8,11,13-14,16,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine?
N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopentyl]-pyridin-3-ylmethyl]ethanamine is sourced from PubChem (CID 115799011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).