N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine

C20H44N2 — CID 139950987

IUPACN,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
SMILESCCCCCCCCCCCCCCN(C)CCCCNC
InChIInChI=1S/C20H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19-22(3)20-17-15-18-21-2/h21H,4-20H2,1-3H3
InChIKeyHOSGLYBONOCXLS-UHFFFAOYSA-N
MW312.59 g/mol
LogP5.62
Rot. Bonds18

About N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine

N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine (PubChem CID 139950987) has the molecular formula C20H44N2 and a molecular weight of 312.59 g/mol. Its IUPAC name is N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
PubChem CID139950987
Molecular FormulaC20H44N2
Molecular Weight312.59 g/mol
Exact Mass312.35
IUPAC NameN,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
SMILESCCCCCCCCCCCCCCN(C)CCCCNC
InChIInChI=1S/C20H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19-22(3)20-17-15-18-21-2/h21H,4-20H2,1-3H3
InChIKeyHOSGLYBONOCXLS-UHFFFAOYSA-N
XLogP5.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.59
LogP ≤ 55.62
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'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N-methyltriacontan-1-amine
CID 19840895
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-hexadecyl-N-methylicosan-1-amine
CID 21242596

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine (CID 139950987) is N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine is CCCCCCCCCCCCCCN(C)CCCCNC.
What is the InChIKey of N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine?
The InChIKey is HOSGLYBONOCXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2/c1-4-5-6-7-8-9-10-11-12-13-14-16-19-22(3)20-17-15-18-21-2/h21H,4-20H2,1-3H3.
What are the key properties of N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine?
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine has a molecular weight of 312.59 g/mol, XLogP of 5.62, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine is sourced from PubChem (CID 139950987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).