1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine

C17H38N2 — CID 79086744

IUPAC1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine
SMILESCCCCCCCCCC(CCN(CC)CC)NC
InChIInChI=1S/C17H38N2/c1-5-8-9-10-11-12-13-14-17(18-4)15-16-19(6-2)7-3/h17-18H,5-16H2,1-4H3
InChIKeyPIBFGVXSIYJVRF-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.45
Rot. Bonds14

About 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine

1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine (PubChem CID 79086744) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine
PubChem CID79086744
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine
SMILESCCCCCCCCCC(CCN(CC)CC)NC
InChIInChI=1S/C17H38N2/c1-5-8-9-10-11-12-13-14-17(18-4)15-16-19(6-2)7-3/h17-18H,5-16H2,1-4H3
InChIKeyPIBFGVXSIYJVRF-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methylheptadecan-9-amine;hydrochloride
CID 175813537
N-methylundecan-4-amine
CID 60996531
1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
CID 79087133
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
3-(methylamino)nonan-1-ol
CID 65235222
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
2-(methylamino)hexadecan-1-ol
CID 118696061
1-N,1-N,5-triethyl-3-N-methylheptane-1,3-diamine
CID 82923355
3-[1-(diethylamino)icosan-3-yloxy]-N,N-diethylicosan-1-amine
CID 11600150
1-(diethylamino)octan-3-ol
CID 79086680
N-methylpentadec-1-en-8-amine
CID 107011425

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine (CID 79086744) is 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine is CCCCCCCCCC(CCN(CC)CC)NC.
What is the InChIKey of 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine?
The InChIKey is PIBFGVXSIYJVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-5-8-9-10-11-12-13-14-17(18-4)15-16-19(6-2)7-3/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine?
1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.45, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-3-N-methyldodecane-1,3-diamine is sourced from PubChem (CID 79086744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).