4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine

C19H31N — CID 65083254

IUPAC4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(NCC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C19H31N/c1-18(2)13-8-11-17(12-14-18)20-15-19(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,20H,8,11-15H2,1-4H3
InChIKeyHKDBKSKTZYQFEY-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.91
Rot. Bonds4

About 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine

4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine (PubChem CID 65083254) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine
PubChem CID65083254
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(NCC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C19H31N/c1-18(2)13-8-11-17(12-14-18)20-15-19(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,20H,8,11-15H2,1-4H3
InChIKeyHKDBKSKTZYQFEY-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine (CID 65083254) is 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine is CC1(C)CCCC(NCC(C)(C)c2ccccc2)CC1.
What is the InChIKey of 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine?
The InChIKey is HKDBKSKTZYQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-18(2)13-8-11-17(12-14-18)20-15-19(3,4)16-9-6-5-7-10-16/h5-7,9-10,17,20H,8,11-15H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine?
4,4-dimethyl-N-(2-methyl-2-phenylpropyl)cycloheptan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 4.91, 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-(2-methyl-2-phenylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 65083254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).