N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine

C14H25NO — CID 75443988

IUPACN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1=CCCC(C)C1CNCC1CCCO1
InChIInChI=1S/C14H25NO/c1-11-5-3-6-12(2)14(11)10-15-9-13-7-4-8-16-13/h5,12-15H,3-4,6-10H2,1-2H3
InChIKeyGRUXOBZAZYLTME-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds4

About N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 75443988) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID75443988
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1=CCCC(C)C1CNCC1CCCO1
InChIInChI=1S/C14H25NO/c1-11-5-3-6-12(2)14(11)10-15-9-13-7-4-8-16-13/h5,12-15H,3-4,6-10H2,1-2H3
InChIKeyGRUXOBZAZYLTME-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine 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 N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 75443988) is N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine is CC1=CCCC(C)C1CNCC1CCCO1.
What is the InChIKey of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is GRUXOBZAZYLTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-5-3-6-12(2)14(11)10-15-9-13-7-4-8-16-13/h5,12-15H,3-4,6-10H2,1-2H3.
What are the key properties of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 75443988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).