N,N,2-trimethyltridecan-2-amine;hydrochloride

C16H36ClN — CID 175023190

IUPACN,N,2-trimethyltridecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCC(C)(C)N(C)C.Cl
InChIInChI=1S/C16H35N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16(2,3)17(4)5;/h6-15H2,1-5H3;1H
InChIKeyLAWVKKRLHWZMQV-UHFFFAOYSA-N
MW277.92 g/mol
LogP5.67
Rot. Bonds11

About N,N,2-trimethyltridecan-2-amine;hydrochloride

N,N,2-trimethyltridecan-2-amine;hydrochloride (PubChem CID 175023190) has the molecular formula C16H36ClN and a molecular weight of 277.92 g/mol. Its IUPAC name is N,N,2-trimethyltridecan-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N,2-trimethyltridecan-2-amine;hydrochloride
PubChem CID175023190
Molecular FormulaC16H36ClN
Molecular Weight277.92 g/mol
Exact Mass277.25
IUPAC NameN,N,2-trimethyltridecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCC(C)(C)N(C)C.Cl
InChIInChI=1S/C16H35N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16(2,3)17(4)5;/h6-15H2,1-5H3;1H
InChIKeyLAWVKKRLHWZMQV-UHFFFAOYSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.92
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N,2-trimethyltridecan-2-amine;hydrochloride 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-methyl-N-(2-methylnonan-2-yl)hydroxylamine
CID 159576424
7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
CID 173284262
N-ethyl-2-methyl-N-(2-methyloctan-2-yl)octan-2-amine
CID 139724053
N-ethyl-2-methyl-N-(2-methyldodecan-2-yl)dodecan-2-amine
CID 139723254
N,N-dimethyl-11-pentylhenicosan-11-amine
CID 175528933
2-methyl-N-(2-methylpentadecan-2-yl)-N-pentadecylpentadecan-2-amine
CID 139723389
N,N-bis(2-methyldecan-2-yl)dodecan-1-amine
CID 139723612
N,N-bis(2-methyldecan-2-yl)tridecan-1-amine
CID 139723232
N,N-bis(2-methylnonan-2-yl)heptadecan-1-amine
CID 139724071
2-methyl-N-(2-methyltridecan-2-yl)-N-nonyltridecan-2-amine
CID 139723690
2-methyl-N,N-dioctyloctan-2-amine
CID 139723132
N-hexadecyl-N-(2-methyldodecan-2-yl)hexadecan-1-amine
CID 139722634

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyltridecan-2-amine;hydrochloride?
The IUPAC name of N,N,2-trimethyltridecan-2-amine;hydrochloride (CID 175023190) is N,N,2-trimethyltridecan-2-amine;hydrochloride.
What is the SMILES notation for N,N,2-trimethyltridecan-2-amine;hydrochloride?
The canonical SMILES for N,N,2-trimethyltridecan-2-amine;hydrochloride is CCCCCCCCCCCC(C)(C)N(C)C.Cl.
What is the InChIKey of N,N,2-trimethyltridecan-2-amine;hydrochloride?
The InChIKey is LAWVKKRLHWZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.ClH/c1-6-7-8-9-10-11-12-13-14-15-16(2,3)17(4)5;/h6-15H2,1-5H3;1H.
What are the key properties of N,N,2-trimethyltridecan-2-amine;hydrochloride?
N,N,2-trimethyltridecan-2-amine;hydrochloride has a molecular weight of 277.92 g/mol, XLogP of 5.67, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyltridecan-2-amine;hydrochloride is sourced from PubChem (CID 175023190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).