N,N-didodecyldodecan-1-amine;dodecan-1-amine

C48H102N2 — CID 161417481

IUPACN,N-didodecyldodecan-1-amine;dodecan-1-amine
SMILESCCCCCCCCCCCCN.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C36H75N.C12H27N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7-8-9-10-11-12-13/h4-36H2,1-3H3;2-13H2,1H3
InChIKeyVWGVHKWBTOWKLN-UHFFFAOYSA-N
MW707.36 g/mol
LogP16.92
Rot. Bonds43

About N,N-didodecyldodecan-1-amine;dodecan-1-amine

N,N-didodecyldodecan-1-amine;dodecan-1-amine (PubChem CID 161417481) has the molecular formula C48H102N2 and a molecular weight of 707.36 g/mol. Its IUPAC name is N,N-didodecyldodecan-1-amine;dodecan-1-amine.

Molecular Properties

Compound NameN,N-didodecyldodecan-1-amine;dodecan-1-amine
PubChem CID161417481
Molecular FormulaC48H102N2
Molecular Weight707.36 g/mol
Exact Mass706.80
IUPAC NameN,N-didodecyldodecan-1-amine;dodecan-1-amine
SMILESCCCCCCCCCCCCN.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C36H75N.C12H27N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7-8-9-10-11-12-13/h4-36H2,1-3H3;2-13H2,1H3
InChIKeyVWGVHKWBTOWKLN-UHFFFAOYSA-N
XLogP16.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds43
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.36
LogP ≤ 516.92
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'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N'-(3-aminopropyl)-N'-hexylbutane-1,4-diamine
CID 10955355
N',N'-diheptylpropane-1,3-diamine
CID 22251174
N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine
CID 159685890
N'-[3-[3-aminopropyl(octadecyl)amino]propyl]-N'-butylpropane-1,3-diamine;N'-butyl-N'-dodecylpropane-1,3-diamine
CID 162265791
N'-(2-aminoethyl)-N'-hexylethane-1,2-diamine
CID 62923108
N,N-dioctyloctan-1-amine;(Z)-octadec-9-en-1-amine
CID 175208767
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dihexyloctan-1-amine
CID 21418080

Frequently Asked Questions

What is the IUPAC name of N,N-didodecyldodecan-1-amine;dodecan-1-amine?
The IUPAC name of N,N-didodecyldodecan-1-amine;dodecan-1-amine (CID 161417481) is N,N-didodecyldodecan-1-amine;dodecan-1-amine.
What is the SMILES notation for N,N-didodecyldodecan-1-amine;dodecan-1-amine?
The canonical SMILES for N,N-didodecyldodecan-1-amine;dodecan-1-amine is CCCCCCCCCCCCN.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of N,N-didodecyldodecan-1-amine;dodecan-1-amine?
The InChIKey is VWGVHKWBTOWKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75N.C12H27N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7-8-9-10-11-12-13/h4-36H2,1-3H3;2-13H2,1H3.
What are the key properties of N,N-didodecyldodecan-1-amine;dodecan-1-amine?
N,N-didodecyldodecan-1-amine;dodecan-1-amine has a molecular weight of 707.36 g/mol, XLogP of 16.92, 43 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didodecyldodecan-1-amine;dodecan-1-amine is sourced from PubChem (CID 161417481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).