N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine

C18H27N — CID 81034224

IUPACN-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(CC2CCCC2CNC2CC2)c1
InChIInChI=1S/C18H27N/c1-13-6-7-14(2)17(10-13)11-15-4-3-5-16(15)12-19-18-8-9-18/h6-7,10,15-16,18-19H,3-5,8-9,11-12H2,1-2H3
InChIKeyFMHRTURSQSXDRU-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.01
Rot. Bonds5

About N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine

N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine (PubChem CID 81034224) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
PubChem CID81034224
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
SMILESCc1ccc(C)c(CC2CCCC2CNC2CC2)c1
InChIInChI=1S/C18H27N/c1-13-6-7-14(2)17(10-13)11-15-4-3-5-16(15)12-19-18-8-9-18/h6-7,10,15-16,18-19H,3-5,8-9,11-12H2,1-2H3
InChIKeyFMHRTURSQSXDRU-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
2-[(2,5-dimethylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61481881
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693
2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
CID 63471595
N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81026994
N-[[2-[(2-chlorophenyl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81023868
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
1-[2-[(2,5-dimethylphenyl)methyl]-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 81025893
N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034512
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine (CID 81034224) is N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine is Cc1ccc(C)c(CC2CCCC2CNC2CC2)c1.
What is the InChIKey of N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
The InChIKey is FMHRTURSQSXDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-13-6-7-14(2)17(10-13)11-15-4-3-5-16(15)12-19-18-8-9-18/h6-7,10,15-16,18-19H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine?
N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine has a molecular weight of 257.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81034224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).