N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine

C15H27NO — CID 114107183

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine
SMILESCC1=CC(C)CC(CNC2CCOC(C)C2)C1
InChIInChI=1S/C15H27NO/c1-11-6-12(2)8-14(7-11)10-16-15-4-5-17-13(3)9-15/h6,11,13-16H,4-5,7-10H2,1-3H3
InChIKeyGCVXAZKRFPLCEB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine (PubChem CID 114107183) 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]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine
PubChem CID114107183
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine
SMILESCC1=CC(C)CC(CNC2CCOC(C)C2)C1
InChIInChI=1S/C15H27NO/c1-11-6-12(2)8-14(7-11)10-16-15-4-5-17-13(3)9-15/h6,11,13-16H,4-5,7-10H2,1-3H3
InChIKeyGCVXAZKRFPLCEB-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]-2-methyloxan-4-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

6-Methoxy-1-methyl-1,2,3,4,4a,5,6,7-octahydroisoquinoline
CID 54060540
4-[(4R)-4-methylcyclohexen-1-yl]oxypiperidine
CID 68082956
4-[(4R)-4-propan-2-ylcyclohexen-1-yl]oxypiperidine
CID 68083152
4-[(5S)-4,5-dipropylcyclohex-3-en-1-yl]oxypiperidine
CID 68083442
3-(4-ethyl-2-methylcyclohex-3-en-1-yl)oxy-N-propan-2-ylpropan-1-amine
CID 90809587
(1S,5R,6R)-3-ethyl-N,6-dimethyl-5-pentan-3-yloxycyclohex-3-en-1-amine
CID 118097478
4-methyl-N-[4-(oxan-4-ylidene)butyl]hexan-2-amine
CID 123759937
2-(3-Methoxypent-3-en-2-yl)piperidine
CID 123890246
(2S)-2-[(4-chloro-6-methylcyclohexa-1,3-dien-1-yl)methyl]-4-methoxypiperidine
CID 163712113
N-ethyl-8-methoxy-7-methyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-2-amine
CID 163962157
(Z,3S)-N-methyl-3-[(6S)-6-methyloctan-4-yl]oxy-7-[(3S,4S)-3-methylpiperidin-4-yl]non-7-en-1-amine
CID 163970162
5-(Oxan-4-yl)-1,2,3,4,7,8-hexahydroazocine
CID 173708062

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine (CID 114107183) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine is CC1=CC(C)CC(CNC2CCOC(C)C2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine?
The InChIKey is GCVXAZKRFPLCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-6-12(2)8-14(7-11)10-16-15-4-5-17-13(3)9-15/h6,11,13-16H,4-5,7-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-methyloxan-4-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]-2-methyloxan-4-amine is sourced from PubChem (CID 114107183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).