4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine

C18H29NO — CID 65084554

IUPAC4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
SMILESCC(C)Oc1ccc(NC2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)20-17-9-7-16(8-10-17)19-15-6-5-12-18(3,4)13-11-15/h7-10,14-15,19H,5-6,11-13H2,1-4H3
InChIKeyHFKGKGROXYRBSN-UHFFFAOYSA-N
MW275.44 g/mol
LogP5.24
Rot. Bonds4

About 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine

4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine (PubChem CID 65084554) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
PubChem CID65084554
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
SMILESCC(C)Oc1ccc(NC2CCCC(C)(C)CC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)20-17-9-7-16(8-10-17)19-15-6-5-12-18(3,4)13-11-15/h7-10,14-15,19H,5-6,11-13H2,1-4H3
InChIKeyHFKGKGROXYRBSN-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine (CID 65084554) is 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine is CC(C)Oc1ccc(NC2CCCC(C)(C)CC2)cc1.
What is the InChIKey of 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine?
The InChIKey is HFKGKGROXYRBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)20-17-9-7-16(8-10-17)19-15-6-5-12-18(3,4)13-11-15/h7-10,14-15,19H,5-6,11-13H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine?
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65084554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).