4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine

C18H29N — CID 116543030

IUPAC4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine
SMILESCCCc1cccc(C2(N)CCCC(C)(C)CC2)c1
InChIInChI=1S/C18H29N/c1-4-7-15-8-5-9-16(14-15)18(19)11-6-10-17(2,3)12-13-18/h5,8-9,14H,4,6-7,10-13,19H2,1-3H3
InChIKeyQLMNASOWEWUNTR-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.78
Rot. Bonds3

About 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine

4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine (PubChem CID 116543030) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine
PubChem CID116543030
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine
SMILESCCCc1cccc(C2(N)CCCC(C)(C)CC2)c1
InChIInChI=1S/C18H29N/c1-4-7-15-8-5-9-16(14-15)18(19)11-6-10-17(2,3)12-13-18/h5,8-9,14H,4,6-7,10-13,19H2,1-3H3
InChIKeyQLMNASOWEWUNTR-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine
CID 116542991
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
3,3-dimethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542580
1-[3-(methoxymethyl)phenyl]cyclobutan-1-amine
CID 117282705
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine
CID 117396413
1-[3-(methylsulfonylmethyl)phenyl]cyclopentan-1-amine
CID 117386737
1-(3,4-dimethoxyphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65084119
2-methyl-1-(3-propylphenyl)cyclopentan-1-ol
CID 116542607
4,4-dimethyl-1-(4-propylphenyl)cycloheptan-1-ol
CID 65085797
1-[3-(piperidin-1-ylmethyl)phenyl]cyclopropan-1-amine
CID 84793946
4-ethyl-1-(3-propylphenyl)cyclohexan-1-ol
CID 116542251

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine (CID 116543030) is 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine is CCCc1cccc(C2(N)CCCC(C)(C)CC2)c1.
What is the InChIKey of 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine?
The InChIKey is QLMNASOWEWUNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-7-15-8-5-9-16(14-15)18(19)11-6-10-17(2,3)12-13-18/h5,8-9,14H,4,6-7,10-13,19H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine?
4,4-dimethyl-1-(3-propylphenyl)cycloheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.78, 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-propylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 116543030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).