N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine

C17H29N — CID 134419248

IUPACN-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine
SMILESC=C/C=C\N=C(/C=C)C(CCC)CCCCCC
InChIInChI=1S/C17H29N/c1-5-9-11-12-14-16(13-7-3)17(8-4)18-15-10-6-2/h6,8,10,15-16H,2,4-5,7,9,11-14H2,1,3H3/b15-10-,18-17+
InChIKeyNGMCPTHVUXKXFX-VZYPWXMNSA-N
MW247.43 g/mol
LogP5.70
Rot. Bonds11

About N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine

N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine (PubChem CID 134419248) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine
PubChem CID134419248
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine
SMILESC=C/C=C\N=C(/C=C)C(CCC)CCCCCC
InChIInChI=1S/C17H29N/c1-5-9-11-12-14-16(13-7-3)17(8-4)18-15-10-6-2/h6,8,10,15-16H,2,4-5,7,9,11-14H2,1,3H3/b15-10-,18-17+
InChIKeyNGMCPTHVUXKXFX-VZYPWXMNSA-N
XLogP5.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine (CID 134419248) is N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine is C=C/C=C\N=C(/C=C)C(CCC)CCCCCC.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine?
The InChIKey is NGMCPTHVUXKXFX-VZYPWXMNSA-N. The full InChI is InChI=1S/C17H29N/c1-5-9-11-12-14-16(13-7-3)17(8-4)18-15-10-6-2/h6,8,10,15-16H,2,4-5,7,9,11-14H2,1,3H3/b15-10-,18-17+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine?
N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine has a molecular weight of 247.43 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-4-propyldec-1-en-3-imine is sourced from PubChem (CID 134419248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).