N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine

C24H50N2 — CID 6437658

IUPACN,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)CCCN(C)C
InChIInChI=1S/C24H50N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(4)24-21-22-25(2)3/h12-13H,5-11,14-24H2,1-4H3/b13-12-
InChIKeyBTLOXYBWVZTCMD-SEYXRHQNSA-N
MW366.68 g/mol
LogP6.91
Rot. Bonds20

About N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine (PubChem CID 6437658) has the molecular formula C24H50N2 and a molecular weight of 366.68 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
PubChem CID6437658
Molecular FormulaC24H50N2
Molecular Weight366.68 g/mol
Exact Mass366.40
IUPAC NameN,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)CCCN(C)C
InChIInChI=1S/C24H50N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(4)24-21-22-25(2)3/h12-13H,5-11,14-24H2,1-4H3/b13-12-
InChIKeyBTLOXYBWVZTCMD-SEYXRHQNSA-N
XLogP6.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.68
LogP ≤ 56.91
H-Bond Donors ≤ 50
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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Related Compounds

(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
N,N-dimethyloctan-1-amine;N-dodecyl-N-methyldodecan-1-amine
CID 23134819
N,N-dimethylheptadec-3-en-1-amine;hydrochloride
CID 173393546
(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine;sulfuric acid
CID 121330534
(E)-N,N-dimethylnon-3-en-1-amine
CID 13212920
N,N-dimethyl-N'-[(E)-octadec-9-enyl]-N'-octylethane-1,2-diamine
CID 71498362
1-chloroethanol;(Z)-N,N-dimethyloctadec-9-en-1-amine
CID 121437265
N,N-dimethyloctan-1-amine
CID 161279104
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine (CID 6437658) is N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine is CCCCCCCC/C=C\CCCCCCCCN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine?
The InChIKey is BTLOXYBWVZTCMD-SEYXRHQNSA-N. The full InChI is InChI=1S/C24H50N2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26(4)24-21-22-25(2)3/h12-13H,5-11,14-24H2,1-4H3/b13-12-.
What are the key properties of N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine has a molecular weight of 366.68 g/mol, XLogP of 6.91, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine is sourced from PubChem (CID 6437658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).