2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine

C16H26N2 — CID 81028492

IUPAC2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCC1Cc1ccncc1
InChIInChI=1S/C16H26N2/c1-16(2,3)18-12-15-6-4-5-14(15)11-13-7-9-17-10-8-13/h7-10,14-15,18H,4-6,11-12H2,1-3H3
InChIKeyXMSUNBJBBPMUNM-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.43
Rot. Bonds4

About 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 81028492) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
PubChem CID81028492
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1CCCC1Cc1ccncc1
InChIInChI=1S/C16H26N2/c1-16(2,3)18-12-15-6-4-5-14(15)11-13-7-9-17-10-8-13/h7-10,14-15,18H,4-6,11-12H2,1-3H3
InChIKeyXMSUNBJBBPMUNM-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 81026278
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81026013
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285
2-methyl-N-[[2-[(1-methylpyrazol-4-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025118
2-methyl-N-[[2-(4-methyl-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81027530
N-[[2-[(5-bromo-2-pyridinyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 104813864
2-methyl-N-[(2-pyridin-4-ylcyclopropyl)methyl]propan-2-amine
CID 62713515
N-[[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 105411454
2-methyl-N-[[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81028498
2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035080
2-methyl-N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81026838

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine (CID 81028492) is 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine is CC(C)(C)NCC1CCCC1Cc1ccncc1.
What is the InChIKey of 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is XMSUNBJBBPMUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)18-12-15-6-4-5-14(15)11-13-7-9-17-10-8-13/h7-10,14-15,18H,4-6,11-12H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 81028492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).