N-butyl-N-undecyldodecan-1-amine

C27H57N — CID 168880724

IUPACN-butyl-N-undecyldodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCC)CCCCCCCCCCC
InChIInChI=1S/C27H57N/c1-4-7-10-12-14-16-18-20-22-24-27-28(25-9-6-3)26-23-21-19-17-15-13-11-8-5-2/h4-27H2,1-3H3
InChIKeyRBZNTSQJDRQOAG-UHFFFAOYSA-N
MW395.76 g/mol
LogP9.54
Rot. Bonds24

About N-butyl-N-undecyldodecan-1-amine

N-butyl-N-undecyldodecan-1-amine (PubChem CID 168880724) has the molecular formula C27H57N and a molecular weight of 395.76 g/mol. Its IUPAC name is N-butyl-N-undecyldodecan-1-amine.

Molecular Properties

Compound NameN-butyl-N-undecyldodecan-1-amine
PubChem CID168880724
Molecular FormulaC27H57N
Molecular Weight395.76 g/mol
Exact Mass395.45
IUPAC NameN-butyl-N-undecyldodecan-1-amine
SMILESCCCCCCCCCCCCN(CCCC)CCCCCCCCCCC
InChIInChI=1S/C27H57N/c1-4-7-10-12-14-16-18-20-22-24-27-28(25-9-6-3)26-23-21-19-17-15-13-11-8-5-2/h4-27H2,1-3H3
InChIKeyRBZNTSQJDRQOAG-UHFFFAOYSA-N
XLogP9.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.76
LogP ≤ 59.54
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-dibutylpentadecan-1-amine
CID 4175227
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-undecyldodecan-1-amine?
The IUPAC name of N-butyl-N-undecyldodecan-1-amine (CID 168880724) is N-butyl-N-undecyldodecan-1-amine.
What is the SMILES notation for N-butyl-N-undecyldodecan-1-amine?
The canonical SMILES for N-butyl-N-undecyldodecan-1-amine is CCCCCCCCCCCCN(CCCC)CCCCCCCCCCC.
What is the InChIKey of N-butyl-N-undecyldodecan-1-amine?
The InChIKey is RBZNTSQJDRQOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N/c1-4-7-10-12-14-16-18-20-22-24-27-28(25-9-6-3)26-23-21-19-17-15-13-11-8-5-2/h4-27H2,1-3H3.
What are the key properties of N-butyl-N-undecyldodecan-1-amine?
N-butyl-N-undecyldodecan-1-amine has a molecular weight of 395.76 g/mol, XLogP of 9.54, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-undecyldodecan-1-amine is sourced from PubChem (CID 168880724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).