2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine

C15H29NO — CID 55078152

IUPAC2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine
SMILESCC(CNC(C)(C)C)OCC1CC=CCC1C
InChIInChI=1S/C15H29NO/c1-12-8-6-7-9-14(12)11-17-13(2)10-16-15(3,4)5/h6-7,12-14,16H,8-11H2,1-5H3
InChIKeyDBPMYVUTVNYVOT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.38
Rot. Bonds5

About 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine

2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine (PubChem CID 55078152) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine
PubChem CID55078152
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine
SMILESCC(CNC(C)(C)C)OCC1CC=CCC1C
InChIInChI=1S/C15H29NO/c1-12-8-6-7-9-14(12)11-17-13(2)10-16-15(3,4)5/h6-7,12-14,16H,8-11H2,1-5H3
InChIKeyDBPMYVUTVNYVOT-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
2-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572371
2,2,2-trifluoro-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethyl]ethanamine
CID 62572527
(Cyclohex-3-en-1-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine
CID 17053140
2-(Cyclohex-3-en-1-yl)morpholine
CID 67609598
N-ethyl-2-(4-methylcyclohex-2-en-1-yl)oxyethanamine
CID 70223116
5-propan-2-yl-3,4,4a,5,8,8a-hexahydro-2H-1,4-benzoxazine
CID 89973783
11-Methyl-8-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597274
(6S,11S)-11-ethyl-8-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597378
2-methyl-N-[2-(5-propylcyclohexa-1,3-dien-1-yl)oxyethyl]propan-2-amine
CID 155031323
1-(1-cyclohexa-2,4-dien-1-ylpropoxy)-N,2-dimethylpropan-2-amine
CID 163586823
2-Octa-5,7-dien-2-ylmorpholine
CID 173438470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine (CID 55078152) is 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine is CC(CNC(C)(C)C)OCC1CC=CCC1C.
What is the InChIKey of 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine?
The InChIKey is DBPMYVUTVNYVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-8-6-7-9-14(12)11-17-13(2)10-16-15(3,4)5/h6-7,12-14,16H,8-11H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine?
2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine has a molecular weight of 239.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine is sourced from PubChem (CID 55078152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).