1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine

C18H29N — CID 64513179

IUPAC1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H29N/c1-5-14-10-11-18(19,12-14)13-15-6-8-16(9-7-15)17(2,3)4/h6-9,14H,5,10-13,19H2,1-4H3
InChIKeyWRDACAPOEUAYIE-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.43
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine

1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine (PubChem CID 64513179) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine
PubChem CID64513179
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine
SMILESCCC1CCC(N)(Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C18H29N/c1-5-14-10-11-18(19,12-14)13-15-6-8-16(9-7-15)17(2,3)4/h6-9,14H,5,10-13,19H2,1-4H3
InChIKeyWRDACAPOEUAYIE-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine (CID 64513179) is 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine is CCC1CCC(N)(Cc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine?
The InChIKey is WRDACAPOEUAYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-14-10-11-18(19,12-14)13-15-6-8-16(9-7-15)17(2,3)4/h6-9,14H,5,10-13,19H2,1-4H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine?
1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine is sourced from PubChem (CID 64513179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).