N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine

C27H57N — CID 6426420

IUPACN-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)CC(C)(C)C
InChIInChI=1S/C27H57N/c1-6-8-10-12-14-16-18-20-22-24-28(26-27(3,4)5)25-23-21-19-17-15-13-11-9-7-2/h6-26H2,1-5H3
InChIKeyGOFKDTVBHLHARJ-UHFFFAOYSA-N
MW395.76 g/mol
LogP9.40
Rot. Bonds21

About N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine

N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine (PubChem CID 6426420) has the molecular formula C27H57N and a molecular weight of 395.76 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
PubChem CID6426420
Molecular FormulaC27H57N
Molecular Weight395.76 g/mol
Exact Mass395.45
IUPAC NameN-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
SMILESCCCCCCCCCCCN(CCCCCCCCCCC)CC(C)(C)C
InChIInChI=1S/C27H57N/c1-6-8-10-12-14-16-18-20-22-24-28(26-27(3,4)5)25-23-21-19-17-15-13-11-9-7-2/h6-26H2,1-5H3
InChIKeyGOFKDTVBHLHARJ-UHFFFAOYSA-N
XLogP9.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.76
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-8-methylidene-N-nonyldecan-1-amine
CID 129293558
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N-dioctyloctan-1-amine
CID 14227
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine (CID 6426420) is N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine is CCCCCCCCCCCN(CCCCCCCCCCC)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine?
The InChIKey is GOFKDTVBHLHARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57N/c1-6-8-10-12-14-16-18-20-22-24-28(26-27(3,4)5)25-23-21-19-17-15-13-11-9-7-2/h6-26H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine?
N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine has a molecular weight of 395.76 g/mol, XLogP of 9.40, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine is sourced from PubChem (CID 6426420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).