N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine

C13H23NO — CID 91473026

IUPACN-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
SMILESCCN(C)CCCOC1=CC=C(C)CC1
InChIInChI=1S/C13H23NO/c1-4-14(3)10-5-11-15-13-8-6-12(2)7-9-13/h6,8H,4-5,7,9-11H2,1-3H3
InChIKeyZLZGFYYDOQCYDX-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds6

About N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine

N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine (PubChem CID 91473026) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
PubChem CID91473026
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
SMILESCCN(C)CCCOC1=CC=C(C)CC1
InChIInChI=1S/C13H23NO/c1-4-14(3)10-5-11-15-13-8-6-12(2)7-9-13/h6,8H,4-5,7,9-11H2,1-3H3
InChIKeyZLZGFYYDOQCYDX-UHFFFAOYSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
N,N-dimethyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
CID 123405257
N-methyl-3-[(3E,5E)-6-methylnona-1,3,5-trien-3-yl]oxy-N-propylpropan-1-amine
CID 141842638
N,N-dimethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)oxyethanamine
CID 143249529
3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylbutan-1-amine
CID 143444022
ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran
CID 143535304
3-cyclohexa-1,3-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 155381623
4,7-dimethyl-3,5,8,9-tetrahydro-2H-1,4-benzoxazepine;ethane
CID 156637601
4-(5-methoxycyclohexa-1,5-dien-1-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 175756689
4,7-dimethyl-3,5,8,9-tetrahydro-2H-1,4-benzoxazepine
CID 156637602

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine?
The IUPAC name of N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine (CID 91473026) is N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine is CCN(C)CCCOC1=CC=C(C)CC1.
What is the InChIKey of N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine?
The InChIKey is ZLZGFYYDOQCYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-14(3)10-5-11-15-13-8-6-12(2)7-9-13/h6,8H,4-5,7,9-11H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine?
N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine is sourced from PubChem (CID 91473026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).