N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine

C35H74N2 — CID 142457035

IUPACN',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine
SMILESCCCCCCCCC(CCCCCC)CN(CCNC)CC(CCCCCC)CCCCCCCC
InChIInChI=1S/C35H74N2/c1-6-10-14-18-20-24-28-34(26-22-16-12-8-3)32-37(31-30-36-5)33-35(27-23-17-13-9-4)29-25-21-19-15-11-7-2/h34-36H,6-33H2,1-5H3
InChIKeyQXWGBORZDDSNMP-UHFFFAOYSA-N
MW522.99 g/mol
LogP11.18
Rot. Bonds31

About N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine

N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine (PubChem CID 142457035) has the molecular formula C35H74N2 and a molecular weight of 522.99 g/mol. Its IUPAC name is N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine
PubChem CID142457035
Molecular FormulaC35H74N2
Molecular Weight522.99 g/mol
Exact Mass522.59
IUPAC NameN',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine
SMILESCCCCCCCCC(CCCCCC)CN(CCNC)CC(CCCCCC)CCCCCCCC
InChIInChI=1S/C35H74N2/c1-6-10-14-18-20-24-28-34(26-22-16-12-8-3)32-37(31-30-36-5)33-35(27-23-17-13-9-4)29-25-21-19-15-11-7-2/h34-36H,6-33H2,1-5H3
InChIKeyQXWGBORZDDSNMP-UHFFFAOYSA-N
XLogP11.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.99
LogP ≤ 511.18
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,2-dihexyldecan-1-amine
CID 139891233
1-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethyl-(2-hydroxy-3-methyltridecyl)amino]-3-methyltridecan-2-ol
CID 59630636
4-ethyl-N-methylnonan-1-amine
CID 174361476
N-(2-ethylhexyl)-N-(7-methyloctyl)decan-1-amine
CID 152619191
N,N-dimethyl-2-nonylhenicosan-1-amine
CID 175192311
N,N-dimethyl-2-octyldodecan-1-amine
CID 21291112
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647
N-heptyl-7-methyl-N-(7-methyloctyl)octan-1-amine
CID 139723142
N-decyl-12-methyl-N-(12-methyltridecyl)tridecan-1-amine
CID 139723116
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine (CID 142457035) is N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine is CCCCCCCCC(CCCCCC)CN(CCNC)CC(CCCCCC)CCCCCCCC.
What is the InChIKey of N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine?
The InChIKey is QXWGBORZDDSNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H74N2/c1-6-10-14-18-20-24-28-34(26-22-16-12-8-3)32-37(31-30-36-5)33-35(27-23-17-13-9-4)29-25-21-19-15-11-7-2/h34-36H,6-33H2,1-5H3.
What are the key properties of N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine?
N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine has a molecular weight of 522.99 g/mol, XLogP of 11.18, 31 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hexyldecyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 142457035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).