N,N-didodecyltridecan-1-amine

C37H77N — CID 87212898

IUPACN,N-didodecyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C37H77N/c1-4-7-10-13-16-19-22-25-28-31-34-37-38(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-37H2,1-3H3
InChIKeyWAQKUNWVHUJHAS-UHFFFAOYSA-N
MW536.03 g/mol
LogP13.44
Rot. Bonds34

About N,N-didodecyltridecan-1-amine

N,N-didodecyltridecan-1-amine (PubChem CID 87212898) has the molecular formula C37H77N and a molecular weight of 536.03 g/mol. Its IUPAC name is N,N-didodecyltridecan-1-amine.

Molecular Properties

Compound NameN,N-didodecyltridecan-1-amine
PubChem CID87212898
Molecular FormulaC37H77N
Molecular Weight536.03 g/mol
Exact Mass535.61
IUPAC NameN,N-didodecyltridecan-1-amine
SMILESCCCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C37H77N/c1-4-7-10-13-16-19-22-25-28-31-34-37-38(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-37H2,1-3H3
InChIKeyWAQKUNWVHUJHAS-UHFFFAOYSA-N
XLogP13.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.03
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870
N,N-dioctyloctan-1-amine;silane
CID 174796791

Frequently Asked Questions

What is the IUPAC name of N,N-didodecyltridecan-1-amine?
The IUPAC name of N,N-didodecyltridecan-1-amine (CID 87212898) is N,N-didodecyltridecan-1-amine.
What is the SMILES notation for N,N-didodecyltridecan-1-amine?
The canonical SMILES for N,N-didodecyltridecan-1-amine is CCCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of N,N-didodecyltridecan-1-amine?
The InChIKey is WAQKUNWVHUJHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77N/c1-4-7-10-13-16-19-22-25-28-31-34-37-38(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-37H2,1-3H3.
What are the key properties of N,N-didodecyltridecan-1-amine?
N,N-didodecyltridecan-1-amine has a molecular weight of 536.03 g/mol, XLogP of 13.44, 34 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didodecyltridecan-1-amine is sourced from PubChem (CID 87212898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).