2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine

C20H33N — CID 115926698

IUPAC2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)NCC(Cc1ccc(C(C)C)cc1)C1CCCC1
InChIInChI=1S/C20H33N/c1-15(2)18-11-9-17(10-12-18)13-20(14-21-16(3)4)19-7-5-6-8-19/h9-12,15-16,19-21H,5-8,13-14H2,1-4H3
InChIKeyRRQYBRRYCZGUMT-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.16
Rot. Bonds7

About 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine

2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine (PubChem CID 115926698) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine
PubChem CID115926698
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine
SMILESCC(C)NCC(Cc1ccc(C(C)C)cc1)C1CCCC1
InChIInChI=1S/C20H33N/c1-15(2)18-11-9-17(10-12-18)13-20(14-21-16(3)4)19-7-5-6-8-19/h9-12,15-16,19-21H,5-8,13-14H2,1-4H3
InChIKeyRRQYBRRYCZGUMT-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopentyl-N-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 112569760
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
1-cyclohexyl-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63413394
1-cyclohexyl-2-(4-propan-2-ylphenyl)ethanol
CID 63410841
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262639
[1-cyclooctyl-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105254967
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
2-(1,1-dioxothiolan-3-yl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 62529651
N-[2-cyclohexyl-3-(4-methylphenyl)propyl]cyclopropanamine
CID 82934027
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine?
The IUPAC name of 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine (CID 115926698) is 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine is CC(C)NCC(Cc1ccc(C(C)C)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine?
The InChIKey is RRQYBRRYCZGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-15(2)18-11-9-17(10-12-18)13-20(14-21-16(3)4)19-7-5-6-8-19/h9-12,15-16,19-21H,5-8,13-14H2,1-4H3.
What are the key properties of 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine?
2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-propan-2-yl-3-(4-propan-2-ylphenyl)propan-1-amine is sourced from PubChem (CID 115926698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).