2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine

C13H25NO — CID 79628752

IUPAC2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
SMILESCC1CC=CCC1COCC(C)(C)CN
InChIInChI=1S/C13H25NO/c1-11-6-4-5-7-12(11)8-15-10-13(2,3)9-14/h4-5,11-12H,6-10,14H2,1-3H3
InChIKeyMLCVDLSBPPTANB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.59
Rot. Bonds5

About 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine

2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine (PubChem CID 79628752) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
PubChem CID79628752
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
SMILESCC1CC=CCC1COCC(C)(C)CN
InChIInChI=1S/C13H25NO/c1-11-6-4-5-7-12(11)8-15-10-13(2,3)9-14/h4-5,11-12H,6-10,14H2,1-3H3
InChIKeyMLCVDLSBPPTANB-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine (CID 79628752) is 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine is CC1CC=CCC1COCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
The InChIKey is MLCVDLSBPPTANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-6-4-5-7-12(11)8-15-10-13(2,3)9-14/h4-5,11-12H,6-10,14H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine?
2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine is sourced from PubChem (CID 79628752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).