N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine

C17H30N2 — CID 123206074

IUPACN-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine
SMILESC=C=CCC=C/N=C(\CCCCCC)CCNCC
InChIInChI=1S/C17H30N2/c1-4-7-9-11-13-17(14-16-18-6-3)19-15-12-10-8-5-2/h8,12,15,18H,2,4,6-7,9-11,13-14,16H2,1,3H3/b15-12?,19-17+
InChIKeyNMVMZSWZBYSXRK-FKVQFVJASA-N
MW262.44 g/mol
LogP4.64
Rot. Bonds12

About N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine

N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine (PubChem CID 123206074) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine
PubChem CID123206074
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine
SMILESC=C=CCC=C/N=C(\CCCCCC)CCNCC
InChIInChI=1S/C17H30N2/c1-4-7-9-11-13-17(14-16-18-6-3)19-15-12-10-8-5-2/h8,12,15,18H,2,4,6-7,9-11,13-14,16H2,1,3H3/b15-12?,19-17+
InChIKeyNMVMZSWZBYSXRK-FKVQFVJASA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
N-nonadec-1-en-4-ylidenehydroxylamine
CID 174804170
pentacosa-1,2-diene
CID 91256364
docosa-1,2-diene
CID 90871698
8-methylidene-N-octyloctadecan-1-amine
CID 153397444
ethane;N-ethylhexan-1-amine
CID 143229911
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
(NZ)-N-non-1-en-4-ylidenehydroxylamine
CID 88738841
N-ethyl-2-hept-1-en-2-yloxyethanamine
CID 90710090
(15Z,18Z)-N-ethyl-4-methylidene-6-[(9Z,12Z)-octadeca-9,12-dienyl]tetracosa-15,18-dien-1-amine
CID 139380837
lithium;N-ethylhexan-1-amine;hydride
CID 174419930
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine?
The IUPAC name of N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine (CID 123206074) is N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine.
What is the SMILES notation for N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine?
The canonical SMILES for N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine is C=C=CCC=C/N=C(\CCCCCC)CCNCC.
What is the InChIKey of N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine?
The InChIKey is NMVMZSWZBYSXRK-FKVQFVJASA-N. The full InChI is InChI=1S/C17H30N2/c1-4-7-9-11-13-17(14-16-18-6-3)19-15-12-10-8-5-2/h8,12,15,18H,2,4,6-7,9-11,13-14,16H2,1,3H3/b15-12?,19-17+.
What are the key properties of N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine?
N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.64, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hexa-1,4,5-trienyliminononan-1-amine is sourced from PubChem (CID 123206074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).