4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine

C18H29N — CID 116543004

IUPAC4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
SMILESCC(C)Cc1cccc(C2(N)CCC(C)(C)CC2)c1
InChIInChI=1S/C18H29N/c1-14(2)12-15-6-5-7-16(13-15)18(19)10-8-17(3,4)9-11-18/h5-7,13-14H,8-12,19H2,1-4H3
InChIKeySDEURJHRGPPFSN-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.64
Rot. Bonds3

About 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine

4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine (PubChem CID 116543004) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
PubChem CID116543004
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
SMILESCC(C)Cc1cccc(C2(N)CCC(C)(C)CC2)c1
InChIInChI=1S/C18H29N/c1-14(2)12-15-6-5-7-16(13-15)18(19)10-8-17(3,4)9-11-18/h5-7,13-14H,8-12,19H2,1-4H3
InChIKeySDEURJHRGPPFSN-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-methylpropyl)phenyl]-1,3-dihydroinden-2-amine
CID 116542927
3,5-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543014
4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine
CID 116543030
3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide
CID 115055777
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542681
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine
CID 116542991
2-methyl-1-[3-(2-methylpropyl)phenyl]cyclopentan-1-ol
CID 116542606
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542858
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine (CID 116543004) is 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine is CC(C)Cc1cccc(C2(N)CCC(C)(C)CC2)c1.
What is the InChIKey of 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine?
The InChIKey is SDEURJHRGPPFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)12-15-6-5-7-16(13-15)18(19)10-8-17(3,4)9-11-18/h5-7,13-14H,8-12,19H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine?
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 116543004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).