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

C14H27NO — CID 103276712

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCC1CC(C)=CC(C)C1
InChIInChI=1S/C14H27NO/c1-11-5-12(2)7-14(6-11)9-15-8-13(3)10-16-4/h5,11,13-15H,6-10H2,1-4H3
InChIKeyTXOQOUOSBGCGNW-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds6

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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine (PubChem CID 103276712) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine
PubChem CID103276712
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine
SMILESCOCC(C)CNCC1CC(C)=CC(C)C1
InChIInChI=1S/C14H27NO/c1-11-5-12(2)7-14(6-11)9-15-8-13(3)10-16-4/h5,11,13-15H,6-10H2,1-4H3
InChIKeyTXOQOUOSBGCGNW-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
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 N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine (CID 103276712) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine is COCC(C)CNCC1CC(C)=CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine?
The InChIKey is TXOQOUOSBGCGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-5-12(2)7-14(6-11)9-15-8-13(3)10-16-4/h5,11,13-15H,6-10H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methoxy-2-methylpropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.85, 6 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-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 103276712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).