2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine

C17H27N — CID 54957693

IUPAC2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Cc1cc(C)ccc1C
InChIInChI=1S/C17H27N/c1-4-10-18-17-7-5-6-15(17)12-16-11-13(2)8-9-14(16)3/h8-9,11,15,17-18H,4-7,10,12H2,1-3H3
InChIKeyNSJXPFCOAPKWIV-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.01
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine

2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 54957693) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
PubChem CID54957693
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Cc1cc(C)ccc1C
InChIInChI=1S/C17H27N/c1-4-10-18-17-7-5-6-15(17)12-16-11-13(2)8-9-14(16)3/h8-9,11,15,17-18H,4-7,10,12H2,1-3H3
InChIKeyNSJXPFCOAPKWIV-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-N-methylcyclopentan-1-amine
CID 61481881
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-[(4-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 55185583
N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034224
2-[(2-bromocyclopentyl)methyl]-1,4-dimethylbenzene
CID 63471595
N-ethyl-2-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105372322
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
2-[(3,4-dimethylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 54978274
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 102856547

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine (CID 54957693) is 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1Cc1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is NSJXPFCOAPKWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-10-18-17-7-5-6-15(17)12-16-11-13(2)8-9-14(16)3/h8-9,11,15,17-18H,4-7,10,12H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 245.41 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 2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 54957693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).