N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine

C18H29N — CID 98017013

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

About N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine

N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine (PubChem CID 98017013) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine.

Molecular Properties

Compound NameN-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
PubChem CID98017013
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine
SMILESCc1cc(C)c(CCCCNC2CCCC2)c(C)c1
InChIInChI=1S/C18H29N/c1-14-12-15(2)18(16(3)13-14)10-6-7-11-19-17-8-4-5-9-17/h12-13,17,19H,4-11H2,1-3H3
InChIKeyNNXXSUOYVVBTFB-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine?
The IUPAC name of N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine (CID 98017013) is N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine.
What is the SMILES notation for N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine?
The canonical SMILES for N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine is Cc1cc(C)c(CCCCNC2CCCC2)c(C)c1.
What is the InChIKey of N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine?
The InChIKey is NNXXSUOYVVBTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-12-15(2)18(16(3)13-14)10-6-7-11-19-17-8-4-5-9-17/h12-13,17,19H,4-11H2,1-3H3.
What are the key properties of N-[4-(2,4,6-trimethylphenyl)butyl]cyclopentanamine?
N-[4-(2,4,6-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-(2,4,6-trimethylphenyl)butyl]cyclopentanamine is sourced from PubChem (CID 98017013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).