1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol

C14H29NO — CID 71071234

IUPAC1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol
SMILESCCCC(O)N(C)C1CCCCCC1(C)C
InChIInChI=1S/C14H29NO/c1-5-9-13(16)15(4)12-10-7-6-8-11-14(12,2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyWQQMHABKJPBCTP-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.40
Rot. Bonds4

About 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol

1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol (PubChem CID 71071234) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol.

Molecular Properties

Compound Name1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol
PubChem CID71071234
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol
SMILESCCCC(O)N(C)C1CCCCCC1(C)C
InChIInChI=1S/C14H29NO/c1-5-9-13(16)15(4)12-10-7-6-8-11-14(12,2)3/h12-13,16H,5-11H2,1-4H3
InChIKeyWQQMHABKJPBCTP-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol 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 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol?
The IUPAC name of 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol (CID 71071234) is 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol.
What is the SMILES notation for 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol?
The canonical SMILES for 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol is CCCC(O)N(C)C1CCCCCC1(C)C.
What is the InChIKey of 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol?
The InChIKey is WQQMHABKJPBCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-13(16)15(4)12-10-7-6-8-11-14(12,2)3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol?
1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcycloheptyl)-methylamino]butan-1-ol is sourced from PubChem (CID 71071234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).