3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine

C17H27N — CID 80705541

IUPAC3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
SMILESCC(C)c1ccc(CC2(N)CCC(C)(C)C2)cc1
InChIInChI=1S/C17H27N/c1-13(2)15-7-5-14(6-8-15)11-17(18)10-9-16(3,4)12-17/h5-8,13H,9-12,18H2,1-4H3
InChIKeyCXXJUXBPMMWTEJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.26
Rot. Bonds3

About 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine

3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine (PubChem CID 80705541) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
PubChem CID80705541
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
SMILESCC(C)c1ccc(CC2(N)CCC(C)(C)C2)cc1
InChIInChI=1S/C17H27N/c1-13(2)15-7-5-14(6-8-15)11-17(18)10-9-16(3,4)12-17/h5-8,13H,9-12,18H2,1-4H3
InChIKeyCXXJUXBPMMWTEJ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
CID 80693061
3-[(4-propan-2-ylphenyl)methyl]oxolan-3-amine
CID 65019826
1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80693058
1-[(4-iodophenyl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 65477877
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
5,5-dimethyl-3-[(4-propan-2-ylphenyl)methyl]thian-3-ol
CID 79947185
3-(2-methylpropyl)-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 107430055
1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
CID 153389368
1-[(5-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80692076
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
3,3-dimethyl-1-(4-propan-2-ylphenyl)cyclopentan-1-ol
CID 80699700
1-[(2-chloro-3-fluorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 112653239

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine (CID 80705541) is 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine is CC(C)c1ccc(CC2(N)CCC(C)(C)C2)cc1.
What is the InChIKey of 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is CXXJUXBPMMWTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)15-7-5-14(6-8-15)11-17(18)10-9-16(3,4)12-17/h5-8,13H,9-12,18H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine?
3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 80705541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).