ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol

C16H35NO2 — CID 144970530

IUPACethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol
SMILESC=CC(CCCCN(CCC)CC(C)O)OC.CC
InChIInChI=1S/C14H29NO2.C2H6/c1-5-10-15(12-13(3)16)11-8-7-9-14(6-2)17-4;1-2/h6,13-14,16H,2,5,7-12H2,1,3-4H3;1-2H3
InChIKeyFFTSUTAOEHPAMX-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.48
Rot. Bonds11

About ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol

ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol (PubChem CID 144970530) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Nameethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol
PubChem CID144970530
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Nameethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol
SMILESC=CC(CCCCN(CCC)CC(C)O)OC.CC
InChIInChI=1S/C14H29NO2.C2H6/c1-5-10-15(12-13(3)16)11-8-7-9-14(6-2)17-4;1-2/h6,13-14,16H,2,5,7-12H2,1,3-4H3;1-2H3
InChIKeyFFTSUTAOEHPAMX-UHFFFAOYSA-N
XLogP3.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol 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

3-methoxynon-1-ene
CID 12563924
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051
3-methoxy-10-octoxydec-1-ene
CID 141054986
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776
ethyl 2-amino-6-[bis(2-hydroxypropyl)amino]hexanoate
CID 173097881
15-methyl-N,N-dipropylhexadecan-1-amine
CID 139724040
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
7-methyl-N,N-dipropyloctan-1-amine
CID 140640733
1-[hydroxymethyl(propyl)amino]propan-2-ol
CID 22642440
1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890026
11-[bis(2-hydroxypropyl)amino]-2-octylundecan-1-ol
CID 173431296

Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol?
The IUPAC name of ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol (CID 144970530) is ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol.
What is the SMILES notation for ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol?
The canonical SMILES for ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol is C=CC(CCCCN(CCC)CC(C)O)OC.CC.
What is the InChIKey of ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol?
The InChIKey is FFTSUTAOEHPAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2.C2H6/c1-5-10-15(12-13(3)16)11-8-7-9-14(6-2)17-4;1-2/h6,13-14,16H,2,5,7-12H2,1,3-4H3;1-2H3.
What are the key properties of ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol?
ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol has a molecular weight of 273.46 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-methoxyhept-6-enyl(propyl)amino]propan-2-ol is sourced from PubChem (CID 144970530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).