N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine

C18H29N — CID 98017018

IUPACN-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
SMILESCc1cc(C)c(CCCCNC2CCCC2)cc1C
InChIInChI=1S/C18H29N/c1-14-12-16(3)17(13-15(14)2)8-6-7-11-19-18-9-4-5-10-18/h12-13,18-19H,4-11H2,1-3H3
InChIKeyVHHXAPFQJPHFOK-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.47
Rot. Bonds6

About N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine

N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine (PubChem CID 98017018) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
PubChem CID98017018
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
SMILESCc1cc(C)c(CCCCNC2CCCC2)cc1C
InChIInChI=1S/C18H29N/c1-14-12-16(3)17(13-15(14)2)8-6-7-11-19-18-9-4-5-10-18/h12-13,18-19H,4-11H2,1-3H3
InChIKeyVHHXAPFQJPHFOK-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine
CID 98017163
N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
CID 98017013
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
CID 63504780
N-[5-(2-chloro-4-fluoro-5-methylphenyl)pentyl]cyclopropanamine
CID 81050602
N-[3-(3,4-dimethylphenyl)sulfanylpropyl]cyclopentanamine
CID 55092477
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
CID 65434549
N-[4-(2,5-dimethylthiophen-3-yl)butyl]cyclopropanamine
CID 65305738
N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
CID 96662680
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[5-(2-ethoxy-5-methylphenyl)pentyl]cyclopropanamine
CID 65305770

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine?
The IUPAC name of N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine (CID 98017018) is N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine is Cc1cc(C)c(CCCCNC2CCCC2)cc1C.
What is the InChIKey of N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine?
The InChIKey is VHHXAPFQJPHFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-12-16(3)17(13-15(14)2)8-6-7-11-19-18-9-4-5-10-18/h12-13,18-19H,4-11H2,1-3H3.
What are the key properties of N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine?
N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine has a molecular weight of 259.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine is sourced from PubChem (CID 98017018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).