N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine

C24H48N2 — CID 6480535

IUPACN',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine
SMILESCCCCN(CCCC)CCCNC(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H48N2/c1-7-9-19-26(20-10-8-2)21-13-18-25-24(6)17-12-16-23(5)15-11-14-22(3)4/h14,16,24-25H,7-13,15,17-21H2,1-6H3/b23-16+
InChIKeyBMWPDNPIIAFKJB-XQNSMLJCSA-N
MW364.66 g/mol
LogP6.73
Rot. Bonds17

About N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine

N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine (PubChem CID 6480535) has the molecular formula C24H48N2 and a molecular weight of 364.66 g/mol. Its IUPAC name is N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine
PubChem CID6480535
Molecular FormulaC24H48N2
Molecular Weight364.66 g/mol
Exact Mass364.38
IUPAC NameN',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine
SMILESCCCCN(CCCC)CCCNC(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H48N2/c1-7-9-19-26(20-10-8-2)21-13-18-25-24(6)17-12-16-23(5)15-11-14-22(3)4/h14,16,24-25H,7-13,15,17-21H2,1-6H3/b23-16+
InChIKeyBMWPDNPIIAFKJB-XQNSMLJCSA-N
XLogP6.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine (CID 6480535) is N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine is CCCCN(CCCC)CCCNC(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine?
The InChIKey is BMWPDNPIIAFKJB-XQNSMLJCSA-N. The full InChI is InChI=1S/C24H48N2/c1-7-9-19-26(20-10-8-2)21-13-18-25-24(6)17-12-16-23(5)15-11-14-22(3)4/h14,16,24-25H,7-13,15,17-21H2,1-6H3/b23-16+.
What are the key properties of N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine?
N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine has a molecular weight of 364.66 g/mol, XLogP of 6.73, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-[(5E)-6,10-dimethylundeca-5,9-dien-2-yl]propane-1,3-diamine is sourced from PubChem (CID 6480535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).