2-[1-(ethylamino)-4-methylcycloheptyl]ethanol

C12H25NO — CID 65234993

IUPAC2-[1-(ethylamino)-4-methylcycloheptyl]ethanol
SMILESCCNC1(CCO)CCCC(C)CC1
InChIInChI=1S/C12H25NO/c1-3-13-12(9-10-14)7-4-5-11(2)6-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyYMMZZNWRJAIYDS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds4

About 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol

2-[1-(ethylamino)-4-methylcycloheptyl]ethanol (PubChem CID 65234993) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol.

Molecular Properties

Compound Name2-[1-(ethylamino)-4-methylcycloheptyl]ethanol
PubChem CID65234993
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[1-(ethylamino)-4-methylcycloheptyl]ethanol
SMILESCCNC1(CCO)CCCC(C)CC1
InChIInChI=1S/C12H25NO/c1-3-13-12(9-10-14)7-4-5-11(2)6-8-12/h11,13-14H,3-10H2,1-2H3
InChIKeyYMMZZNWRJAIYDS-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol 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 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol?
The IUPAC name of 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol (CID 65234993) is 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol.
What is the SMILES notation for 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol?
The canonical SMILES for 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol is CCNC1(CCO)CCCC(C)CC1.
What is the InChIKey of 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol?
The InChIKey is YMMZZNWRJAIYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-13-12(9-10-14)7-4-5-11(2)6-8-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol?
2-[1-(ethylamino)-4-methylcycloheptyl]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)-4-methylcycloheptyl]ethanol is sourced from PubChem (CID 65234993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).