N'-decyl-N-ethyl-N'-methylethane-1,2-diamine

C15H34N2 — CID 63526975

IUPACN'-decyl-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCCCCCCCCCN(C)CCNCC
InChIInChI=1S/C15H34N2/c1-4-6-7-8-9-10-11-12-14-17(3)15-13-16-5-2/h16H,4-15H2,1-3H3
InChIKeyVYZKSZFEGVZEAH-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.67
Rot. Bonds13

About N'-decyl-N-ethyl-N'-methylethane-1,2-diamine

N'-decyl-N-ethyl-N'-methylethane-1,2-diamine (PubChem CID 63526975) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-decyl-N-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-decyl-N-ethyl-N'-methylethane-1,2-diamine
PubChem CID63526975
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-decyl-N-ethyl-N'-methylethane-1,2-diamine
SMILESCCCCCCCCCCN(C)CCNCC
InChIInChI=1S/C15H34N2/c1-4-6-7-8-9-10-11-12-14-17(3)15-13-16-5-2/h16H,4-15H2,1-3H3
InChIKeyVYZKSZFEGVZEAH-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.67
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-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
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-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894

Frequently Asked Questions

What is the IUPAC name of N'-decyl-N-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-decyl-N-ethyl-N'-methylethane-1,2-diamine (CID 63526975) is N'-decyl-N-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-decyl-N-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-decyl-N-ethyl-N'-methylethane-1,2-diamine is CCCCCCCCCCN(C)CCNCC.
What is the InChIKey of N'-decyl-N-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is VYZKSZFEGVZEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-4-6-7-8-9-10-11-12-14-17(3)15-13-16-5-2/h16H,4-15H2,1-3H3.
What are the key properties of N'-decyl-N-ethyl-N'-methylethane-1,2-diamine?
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.67, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-decyl-N-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63526975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).