2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine

C18H29N — CID 81027821

IUPAC2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCc1ccc(CC2CCCC2CNCC(C)C)cc1
InChIInChI=1S/C18H29N/c1-14(2)12-19-13-18-6-4-5-17(18)11-16-9-7-15(3)8-10-16/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyXDNMVRFSEQAGIG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.20
Rot. Bonds6

About 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine

2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 81027821) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID81027821
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
SMILESCc1ccc(CC2CCCC2CNCC(C)C)cc1
InChIInChI=1S/C18H29N/c1-14(2)12-19-13-18-6-4-5-17(18)11-16-9-7-15(3)8-10-16/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyXDNMVRFSEQAGIG-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028348
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027303
N-[[2-[(3-chlorophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81033962
2-methyl-N-[[2-(pyridin-2-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 81028060
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine (CID 81027821) is 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine is Cc1ccc(CC2CCCC2CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is XDNMVRFSEQAGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)12-19-13-18-6-4-5-17(18)11-16-9-7-15(3)8-10-16/h7-10,14,17-19H,4-6,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine?
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 81027821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).