N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine

C15H27NO — CID 114113539

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine
SMILESCC1=CC(C)CC(CNC2(C)CCCOC2)C1
InChIInChI=1S/C15H27NO/c1-12-7-13(2)9-14(8-12)10-16-15(3)5-4-6-17-11-15/h7,12,14,16H,4-6,8-11H2,1-3H3
InChIKeyABMBPPUGBSUBAA-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine (PubChem CID 114113539) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine
PubChem CID114113539
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine
SMILESCC1=CC(C)CC(CNC2(C)CCCOC2)C1
InChIInChI=1S/C15H27NO/c1-12-7-13(2)9-14(8-12)10-16-15(3)5-4-6-17-11-15/h7,12,14,16H,4-6,8-11H2,1-3H3
InChIKeyABMBPPUGBSUBAA-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-3-methyloxan-3-amine
CID 103897448
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103276820
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol
CID 103276887
(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 103277041
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103277043
N-[(3-chloro-4-methylphenyl)methyl]-3-methyloxan-3-amine
CID 106833865
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103276855

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine (CID 114113539) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine is CC1=CC(C)CC(CNC2(C)CCCOC2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine?
The InChIKey is ABMBPPUGBSUBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12-7-13(2)9-14(8-12)10-16-15(3)5-4-6-17-11-15/h7,12,14,16H,4-6,8-11H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyloxan-3-amine is sourced from PubChem (CID 114113539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).