ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran

C18H35NO — CID 143535304

IUPACethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran
SMILESCC.CC1=CC2=C(CC1)OCC2.CCCN(C)CCC
InChIInChI=1S/C9H12O.C7H17N.C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-4-6-8(3)7-5-2;1-2/h6H,2-5H2,1H3;4-7H2,1-3H3;1-2H3
InChIKeyALVGQCMAPIYUAY-UHFFFAOYSA-N
MW281.48 g/mol
LogP5.17
Rot. Bonds4

About ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran

ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran (PubChem CID 143535304) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Nameethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran
PubChem CID143535304
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Nameethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran
SMILESCC.CC1=CC2=C(CC1)OCC2.CCCN(C)CCC
InChIInChI=1S/C9H12O.C7H17N.C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-4-6-8(3)7-5-2;1-2/h6H,2-5H2,1H3;4-7H2,1-3H3;1-2H3
InChIKeyALVGQCMAPIYUAY-UHFFFAOYSA-N
XLogP5.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran 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

N-ethyl-N-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
CID 91473026
N,N-dimethyl-3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropan-1-amine
CID 123405257

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran?
The IUPAC name of ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran (CID 143535304) is ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran is CC.CC1=CC2=C(CC1)OCC2.CCCN(C)CCC.
What is the InChIKey of ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran?
The InChIKey is ALVGQCMAPIYUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C7H17N.C2H6/c1-7-2-3-9-8(6-7)4-5-10-9;1-4-6-8(3)7-5-2;1-2/h6H,2-5H2,1H3;4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran?
ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran has a molecular weight of 281.48 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-propylpropan-1-amine;5-methyl-2,3,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 143535304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).