1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine

C17H27N — CID 117366356

IUPAC1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
SMILESCC(C)c1ccc(C(C)C)c(C2(N)CCCC2)c1
InChIInChI=1S/C17H27N/c1-12(2)14-7-8-15(13(3)4)16(11-14)17(18)9-5-6-10-17/h7-8,11-13H,5-6,9-10,18H2,1-4H3
InChIKeyAOISLASQXVUCJJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.66
Rot. Bonds3

About 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine

1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine (PubChem CID 117366356) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
PubChem CID117366356
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine
SMILESCC(C)c1ccc(C(C)C)c(C2(N)CCCC2)c1
InChIInChI=1S/C17H27N/c1-12(2)14-7-8-15(13(3)4)16(11-14)17(18)9-5-6-10-17/h7-8,11-13H,5-6,9-10,18H2,1-4H3
InChIKeyAOISLASQXVUCJJ-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-propan-2-ylphenyl)cyclohexan-1-amine
CID 84797636
[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
CID 117366355
1-(6-propan-2-yl-1,3-benzodioxol-5-yl)cyclohexan-1-amine
CID 117408361
1-(4-propan-2-ylphenyl)cyclobutan-1-amine
CID 43146614
1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
CID 117323744
1-[5-(1-fluoroethyl)-2-methoxyphenyl]cyclopentan-1-amine
CID 117347443
1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155
1-(4-propan-2-yl-3-pyridinyl)cyclopropan-1-amine
CID 84767223
2-(1-aminocyclopentyl)-3,6-di(propan-2-yl)phenol
CID 117408731
4-(2-methoxy-5-propan-2-ylphenyl)oxan-4-amine
CID 82297013
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine (CID 117366356) is 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine is CC(C)c1ccc(C(C)C)c(C2(N)CCCC2)c1.
What is the InChIKey of 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine?
The InChIKey is AOISLASQXVUCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)14-7-8-15(13(3)4)16(11-14)17(18)9-5-6-10-17/h7-8,11-13H,5-6,9-10,18H2,1-4H3.
What are the key properties of 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine?
1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-di(propan-2-yl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117366356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).