ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine

C18H44N2O3S — CID 142059554

IUPACethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine
SMILESC=C.CC.CC.CCCC(CCOC)NC.CCNC=S.O=CO
InChIInChI=1S/C8H19NO.C3H7NS.2C2H6.C2H4.CH2O2/c1-4-5-8(9-2)6-7-10-3;1-2-4-3-5;3*1-2;2-1-3/h8-9H,4-7H2,1-3H3;3H,2H2,1H3,(H,4,5);2*1-2H3;1-2H2;1H,(H,2,3)
InChIKeyFCHUQAGPLVVSDJ-UHFFFAOYSA-N
MW368.63 g/mol
LogP4.52
Rot. Bonds8

About ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine

ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine (PubChem CID 142059554) has the molecular formula C18H44N2O3S and a molecular weight of 368.63 g/mol. Its IUPAC name is ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine.

Molecular Properties

Compound Nameethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine
PubChem CID142059554
Molecular FormulaC18H44N2O3S
Molecular Weight368.63 g/mol
Exact Mass368.31
IUPAC Nameethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine
SMILESC=C.CC.CC.CCCC(CCOC)NC.CCNC=S.O=CO
InChIInChI=1S/C8H19NO.C3H7NS.2C2H6.C2H4.CH2O2/c1-4-5-8(9-2)6-7-10-3;1-2-4-3-5;3*1-2;2-1-3/h8-9H,4-7H2,1-3H3;3H,2H2,1H3,(H,4,5);2*1-2H3;1-2H2;1H,(H,2,3)
InChIKeyFCHUQAGPLVVSDJ-UHFFFAOYSA-N
XLogP4.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.63
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine 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

ethane;N-[3-(methylamino)hexyl]formamide
CID 142947106
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
N-(1-methoxypentan-2-yl)formamide
CID 64991687
1-methoxy-N,5-dimethylhexan-3-amine
CID 61412453
1-methoxy-N-propylhexan-3-amine
CID 61412304
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
ethane;formaldehyde;methane;methanol;N-methyldec-9-en-4-amine;prop-1-ene
CID 142059392
N-but-3-en-2-yl-1-methoxypentan-2-amine
CID 107907040
(2S)-4-methoxy-2-(methylamino)butanal
CID 145050464
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
1-methoxy-N,2,6-trimethylnonan-4-amine
CID 105138093

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine?
The IUPAC name of ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine (CID 142059554) is ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine.
What is the SMILES notation for ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine?
The canonical SMILES for ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine is C=C.CC.CC.CCCC(CCOC)NC.CCNC=S.O=CO.
What is the InChIKey of ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine?
The InChIKey is FCHUQAGPLVVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C3H7NS.2C2H6.C2H4.CH2O2/c1-4-5-8(9-2)6-7-10-3;1-2-4-3-5;3*1-2;2-1-3/h8-9H,4-7H2,1-3H3;3H,2H2,1H3,(H,4,5);2*1-2H3;1-2H2;1H,(H,2,3).
What are the key properties of ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine?
ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine has a molecular weight of 368.63 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N-ethylmethanethioamide;formic acid;1-methoxy-N-methylhexan-3-amine is sourced from PubChem (CID 142059554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).