ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine

C19H38N2O — CID 145473125

IUPACethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine
SMILESC=C/C(C)=C\C(=C/C)CCC(CN(C)CCOC)NC.CC
InChIInChI=1S/C17H32N2O.C2H6/c1-7-15(3)13-16(8-2)9-10-17(18-4)14-19(5)11-12-20-6;1-2/h7-8,13,17-18H,1,9-12,14H2,2-6H3;1-2H3/b15-13-,16-8-;
InChIKeyDHTKRDMFSAEJDG-XFIVCHBASA-N
MW310.53 g/mol
LogP4.04
Rot. Bonds11

About ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine

ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine (PubChem CID 145473125) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine.

Molecular Properties

Compound Nameethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine
PubChem CID145473125
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Nameethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine
SMILESC=C/C(C)=C\C(=C/C)CCC(CN(C)CCOC)NC.CC
InChIInChI=1S/C17H32N2O.C2H6/c1-7-15(3)13-16(8-2)9-10-17(18-4)14-19(5)11-12-20-6;1-2/h7-8,13,17-18H,1,9-12,14H2,2-6H3;1-2H3/b15-13-,16-8-;
InChIKeyDHTKRDMFSAEJDG-XFIVCHBASA-N
XLogP4.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine
CID 146237710
2-N-(2-methoxyethyl)-4-methylcyclohex-4-ene-1,2-diamine
CID 68230498
(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
CID 118146494
(2S,4Z,6Z)-1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methyl-3-methylideneocta-4,6-diene-1,2-diamine
CID 132122159
N-ethyl-2-[3-[ethyl(2-methoxyethyl)amino]propyl]cyclohepta-1,4,6-trien-1-amine
CID 143063234
(4E,6E)-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-5,7-bis(prop-1-en-2-yl)undeca-2,4,6-trien-6-amine
CID 144858279
ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
CID 145472451
ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine
CID 145472733
(6Z)-N-[[(2R)-2-[ethyl(propyl)amino]butoxy]methyl]-4,8-dimethylnona-6,8-dien-3-amine
CID 146644692
1-N-(2-methoxyethyl)-1,3-dimethylcyclohexa-3,5-diene-1,2-diamine
CID 152655286
(3S)-4-(cyclododecahexaenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 173812794
(1S)-N-methyl-N-[[(2R)-2-(2-methylidenehexylamino)pent-4-enoxy]methyl]-3-propylcyclobut-2-en-1-amine
CID 173930488

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine?
The IUPAC name of ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine (CID 145473125) is ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine.
What is the SMILES notation for ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine?
The canonical SMILES for ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine is C=C/C(C)=C\C(=C/C)CCC(CN(C)CCOC)NC.CC.
What is the InChIKey of ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine?
The InChIKey is DHTKRDMFSAEJDG-XFIVCHBASA-N. The full InChI is InChI=1S/C17H32N2O.C2H6/c1-7-15(3)13-16(8-2)9-10-17(18-4)14-19(5)11-12-20-6;1-2/h7-8,13,17-18H,1,9-12,14H2,2-6H3;1-2H3/b15-13-,16-8-;.
What are the key properties of ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine?
ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine has a molecular weight of 310.53 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine is sourced from PubChem (CID 145473125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).