4-(oct-7-enylideneamino)nona-1,8-dien-5-amine

C17H30N2 — CID 57271448

IUPAC4-(oct-7-enylideneamino)nona-1,8-dien-5-amine
SMILESC=CCCCCC/C=N/C(CC=C)C(N)CCC=C
InChIInChI=1S/C17H30N2/c1-4-7-9-10-11-12-15-19-17(13-6-3)16(18)14-8-5-2/h4-6,15-17H,1-3,7-14,18H2/b19-15+
InChIKeyIQYSMQJLTIFDGY-XDJHFCHBSA-N
MW262.44 g/mol
LogP4.43
Rot. Bonds13

About 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine

4-(oct-7-enylideneamino)nona-1,8-dien-5-amine (PubChem CID 57271448) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine.

Molecular Properties

Compound Name4-(oct-7-enylideneamino)nona-1,8-dien-5-amine
PubChem CID57271448
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name4-(oct-7-enylideneamino)nona-1,8-dien-5-amine
SMILESC=CCCCCC/C=N/C(CC=C)C(N)CCC=C
InChIInChI=1S/C17H30N2/c1-4-7-9-10-11-12-15-19-17(13-6-3)16(18)14-8-5-2/h4-6,15-17H,1-3,7-14,18H2/b19-15+
InChIKeyIQYSMQJLTIFDGY-XDJHFCHBSA-N
XLogP4.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.43
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(Propylideneamino)octa-6,7-dien-4-amine
CID 57011321
4-(Propylideneamino)octa-6,7-dien-1-amine
CID 57187107
2-(Undec-10-enylideneamino)ethanamine
CID 121341438
5-Pent-4-en-2-yliminopentan-1-amine
CID 123770418
2-(Hept-6-en-3-ylideneamino)butan-1-amine
CID 123875746
N-iodo-2-(undec-10-enylideneamino)ethanamine
CID 146475864
6-(Undec-10-enylideneamino)hexan-1-amine
CID 177942003

Frequently Asked Questions

What is the IUPAC name of 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine?
The IUPAC name of 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine (CID 57271448) is 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine.
What is the SMILES notation for 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine?
The canonical SMILES for 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine is C=CCCCCC/C=N/C(CC=C)C(N)CCC=C.
What is the InChIKey of 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine?
The InChIKey is IQYSMQJLTIFDGY-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-7-9-10-11-12-15-19-17(13-6-3)16(18)14-8-5-2/h4-6,15-17H,1-3,7-14,18H2/b19-15+.
What are the key properties of 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine?
4-(oct-7-enylideneamino)nona-1,8-dien-5-amine has a molecular weight of 262.44 g/mol, XLogP of 4.43, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oct-7-enylideneamino)nona-1,8-dien-5-amine is sourced from PubChem (CID 57271448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).