ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane

C31H64N2S — CID 143376744

IUPACethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane
SMILESC=C/C=C(/CC(=C)/C(=C/C=C(C)CC=C)CC)NC.CC.CC.CCC.CNC.CSC(C)C
InChIInChI=1S/C18H27N.C4H10S.C3H8.C2H7N.2C2H6/c1-7-10-15(4)12-13-17(9-3)16(5)14-18(19-6)11-8-2;1-4(2)5-3;2*1-3-2;2*1-2/h7-8,11-13,19H,1-2,5,9-10,14H2,3-4,6H3;4H,1-3H3;3H2,1-2H3;3H,1-2H3;2*1-2H3/b15-12?,17-13+,18-11-;;;;;
InChIKeyVAPUTKWUZHMXNQ-VBAFDSLDSA-N
MW496.93 g/mol
LogP10.14
Rot. Bonds10

About ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane

ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane (PubChem CID 143376744) has the molecular formula C31H64N2S and a molecular weight of 496.93 g/mol. Its IUPAC name is ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane.

Molecular Properties

Compound Nameethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane
PubChem CID143376744
Molecular FormulaC31H64N2S
Molecular Weight496.93 g/mol
Exact Mass496.48
IUPAC Nameethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane
SMILESC=C/C=C(/CC(=C)/C(=C/C=C(C)CC=C)CC)NC.CC.CC.CCC.CNC.CSC(C)C
InChIInChI=1S/C18H27N.C4H10S.C3H8.C2H7N.2C2H6/c1-7-10-15(4)12-13-17(9-3)16(5)14-18(19-6)11-8-2;1-4(2)5-3;2*1-3-2;2*1-2/h7-8,11-13,19H,1-2,5,9-10,14H2,3-4,6H3;4H,1-3H3;3H2,1-2H3;3H,1-2H3;2*1-2H3/b15-12?,17-13+,18-11-;;;;;
InChIKeyVAPUTKWUZHMXNQ-VBAFDSLDSA-N
XLogP10.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.93
LogP ≤ 510.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane?
The IUPAC name of ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane (CID 143376744) is ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane.
What is the SMILES notation for ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane?
The canonical SMILES for ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane is C=C/C=C(/CC(=C)/C(=C/C=C(C)CC=C)CC)NC.CC.CC.CCC.CNC.CSC(C)C.
What is the InChIKey of ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane?
The InChIKey is VAPUTKWUZHMXNQ-VBAFDSLDSA-N. The full InChI is InChI=1S/C18H27N.C4H10S.C3H8.C2H7N.2C2H6/c1-7-10-15(4)12-13-17(9-3)16(5)14-18(19-6)11-8-2;1-4(2)5-3;2*1-3-2;2*1-2/h7-8,11-13,19H,1-2,5,9-10,14H2,3-4,6H3;4H,1-3H3;3H2,1-2H3;3H,1-2H3;2*1-2H3/b15-12?,17-13+,18-11-;;;;;.
What are the key properties of ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane?
ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane has a molecular weight of 496.93 g/mol, XLogP of 10.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane is sourced from PubChem (CID 143376744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).