4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine

C19H31N — CID 65083512

IUPAC4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
SMILESCC(C)c1ccc(CNC2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C19H31N/c1-15(2)17-9-7-16(8-10-17)14-20-18-6-5-12-19(3,4)13-11-18/h7-10,15,18,20H,5-6,11-14H2,1-4H3
InChIKeyLOQCTOKZUYNCQF-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.26
Rot. Bonds4

About 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine

4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine (PubChem CID 65083512) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
PubChem CID65083512
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine
SMILESCC(C)c1ccc(CNC2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C19H31N/c1-15(2)17-9-7-16(8-10-17)14-20-18-6-5-12-19(3,4)13-11-18/h7-10,15,18,20H,5-6,11-14H2,1-4H3
InChIKeyLOQCTOKZUYNCQF-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]cycloheptanamine;hydrochloride
CID 17331879
N-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
1-N,2-N-bis[(4-propan-2-ylphenyl)methyl]cyclohexane-1,2-diamine
CID 18914017
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
3-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 103561839
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599
N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 113410382
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine (CID 65083512) is 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine is CC(C)c1ccc(CNC2CCCC(C)(C)CC2)cc1.
What is the InChIKey of 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine?
The InChIKey is LOQCTOKZUYNCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15(2)17-9-7-16(8-10-17)14-20-18-6-5-12-19(3,4)13-11-18/h7-10,15,18,20H,5-6,11-14H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine?
4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65083512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).