N'-heptadecyl-N,N'-dimethylethane-1,2-diamine

C21H46N2 — CID 23574295

IUPACN'-heptadecyl-N,N'-dimethylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCN(C)CCNC
InChIInChI=1S/C21H46N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(3)21-19-22-2/h22H,4-21H2,1-3H3
InChIKeyZVFJWCAHYZBCAD-UHFFFAOYSA-N
MW326.61 g/mol
LogP6.01
Rot. Bonds19

About N'-heptadecyl-N,N'-dimethylethane-1,2-diamine

N'-heptadecyl-N,N'-dimethylethane-1,2-diamine (PubChem CID 23574295) has the molecular formula C21H46N2 and a molecular weight of 326.61 g/mol. Its IUPAC name is N'-heptadecyl-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-heptadecyl-N,N'-dimethylethane-1,2-diamine
PubChem CID23574295
Molecular FormulaC21H46N2
Molecular Weight326.61 g/mol
Exact Mass326.37
IUPAC NameN'-heptadecyl-N,N'-dimethylethane-1,2-diamine
SMILESCCCCCCCCCCCCCCCCCN(C)CCNC
InChIInChI=1S/C21H46N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(3)21-19-22-2/h22H,4-21H2,1-3H3
InChIKeyZVFJWCAHYZBCAD-UHFFFAOYSA-N
XLogP6.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 56.01
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,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 90738299
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-methyl-N-nonylundecan-1-amine
CID 603442
N-hexyl-N-methyldodecan-1-amine
CID 139978744
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-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569

Frequently Asked Questions

What is the IUPAC name of N'-heptadecyl-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-heptadecyl-N,N'-dimethylethane-1,2-diamine (CID 23574295) is N'-heptadecyl-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-heptadecyl-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-heptadecyl-N,N'-dimethylethane-1,2-diamine is CCCCCCCCCCCCCCCCCN(C)CCNC.
What is the InChIKey of N'-heptadecyl-N,N'-dimethylethane-1,2-diamine?
The InChIKey is ZVFJWCAHYZBCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(3)21-19-22-2/h22H,4-21H2,1-3H3.
What are the key properties of N'-heptadecyl-N,N'-dimethylethane-1,2-diamine?
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine has a molecular weight of 326.61 g/mol, XLogP of 6.01, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptadecyl-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 23574295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).