N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine

C17H27N — CID 81028227

IUPACN-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1Cc1ccccc1
InChIInChI=1S/C17H27N/c1-14(2)12-18-13-17-10-6-9-16(17)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3
InChIKeyAAQREELKPKTBBH-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.89
Rot. Bonds6

About N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine

N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine (PubChem CID 81028227) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
PubChem CID81028227
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1Cc1ccccc1
InChIInChI=1S/C17H27N/c1-14(2)12-18-13-17-10-6-9-16(17)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3
InChIKeyAAQREELKPKTBBH-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
N-[[2-[(3-fluorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028348
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
N-[(2-benzylcycloheptyl)methyl]propan-2-amine
CID 81026493
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
2-methyl-N-[[2-(pyridin-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 104737366
N-benzyl-N-methyl-2-[(2-methylpropylamino)methyl]cyclobutan-1-amine
CID 80998488
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81028346
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
2-methyl-N-[[2-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027054

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine (CID 81028227) is N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCC1Cc1ccccc1.
What is the InChIKey of N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine?
The InChIKey is AAQREELKPKTBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)12-18-13-17-10-6-9-16(17)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3.
What are the key properties of N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine?
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81028227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).