ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine

C23H48N2 — CID 169246496

IUPACethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine
SMILESC=C/C=C(CCCCCCN)\C(=C/C)NC(CC)CCC.CC.CC
InChIInChI=1S/C19H36N2.2C2H6/c1-5-13-17(15-11-9-10-12-16-20)19(8-4)21-18(7-3)14-6-2;2*1-2/h5,8,13,18,21H,1,6-7,9-12,14-16,20H2,2-4H3;2*1-2H3/b17-13-,19-8+;;
InChIKeyULFOCMCPABXHPL-STUQZFJESA-N
MW352.65 g/mol
LogP7.13
Rot. Bonds13

About ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine

ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine (PubChem CID 169246496) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine.

Molecular Properties

Compound Nameethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine
PubChem CID169246496
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Nameethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine
SMILESC=C/C=C(CCCCCCN)\C(=C/C)NC(CC)CCC.CC.CC
InChIInChI=1S/C19H36N2.2C2H6/c1-5-13-17(15-11-9-10-12-16-20)19(8-4)21-18(7-3)14-6-2;2*1-2/h5,8,13,18,21H,1,6-7,9-12,14-16,20H2,2-4H3;2*1-2H3/b17-13-,19-8+;;
InChIKeyULFOCMCPABXHPL-STUQZFJESA-N
XLogP7.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine with MolForge

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Related Compounds

7-amino-N-hexan-3-ylheptanamide;hydrochloride
CID 119757664
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
N-(6-aminohexan-3-yl)prop-2-enamide
CID 90258074
6-amino-N-(1-cyanobutan-2-yl)hexanamide
CID 62645663
hexan-3-ylurea;molecular hydrogen
CID 143768672
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
(2S)-2-(5-aminopentanoylamino)pentanoic acid
CID 103869799
N-(6-aminohexan-2-yl)octanamide
CID 123172105
ethyl 2-(5-aminopentanoylamino)-3-methylpent-4-enoate
CID 143382231
2-(2-aminoethoxy)-N-hexan-3-ylacetamide
CID 79478574
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836

Frequently Asked Questions

What is the IUPAC name of ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine?
The IUPAC name of ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine (CID 169246496) is ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine.
What is the SMILES notation for ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine?
The canonical SMILES for ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine is C=C/C=C(CCCCCCN)\C(=C/C)NC(CC)CCC.CC.CC.
What is the InChIKey of ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine?
The InChIKey is ULFOCMCPABXHPL-STUQZFJESA-N. The full InChI is InChI=1S/C19H36N2.2C2H6/c1-5-13-17(15-11-9-10-12-16-20)19(8-4)21-18(7-3)14-6-2;2*1-2/h5,8,13,18,21H,1,6-7,9-12,14-16,20H2,2-4H3;2*1-2H3/b17-13-,19-8+;;.
What are the key properties of ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine?
ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine has a molecular weight of 352.65 g/mol, XLogP of 7.13, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine is sourced from PubChem (CID 169246496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).