1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine

C18H27N — CID 141117958

IUPAC1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine
SMILESCC1(C)CCC(c2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C18H27N/c1-18(2)10-8-15(9-11-18)16-6-5-7-17(14-16)19-12-3-4-13-19/h5-7,14-15H,3-4,8-13H2,1-2H3
InChIKeyDFJWEZQNXKZASA-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.97
Rot. Bonds2

About 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine

1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine (PubChem CID 141117958) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine
PubChem CID141117958
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine
SMILESCC1(C)CCC(c2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C18H27N/c1-18(2)10-8-15(9-11-18)16-6-5-7-17(14-16)19-12-3-4-13-19/h5-7,14-15H,3-4,8-13H2,1-2H3
InChIKeyDFJWEZQNXKZASA-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-propan-2-yl-3-(3-pyrrolidin-1-ylphenyl)pyrrolidine
CID 170687976
1-(3-cyclobutylphenyl)piperidin-4-amine
CID 114605607
4-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431735
1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
CID 156851276
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431747
4-(3-piperidin-4-ylphenyl)morpholine
CID 117368717
1-[3-(4,4-dimethylcyclohexyl)phenyl]ethanone
CID 84693841
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
CID 165121154
4-[3-(1-propylpiperidin-4-yl)phenyl]morpholine;hydrochloride
CID 71653729
3,4,4-trimethyl-1-(3-pyrrolidin-1-ylphenyl)azetidin-2-one
CID 163230241

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine?
The IUPAC name of 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine (CID 141117958) is 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine is CC1(C)CCC(c2cccc(N3CCCC3)c2)CC1.
What is the InChIKey of 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine?
The InChIKey is DFJWEZQNXKZASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-18(2)10-8-15(9-11-18)16-6-5-7-17(14-16)19-12-3-4-13-19/h5-7,14-15H,3-4,8-13H2,1-2H3.
What are the key properties of 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine?
1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine has a molecular weight of 257.42 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-dimethylcyclohexyl)phenyl]pyrrolidine is sourced from PubChem (CID 141117958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).