N-benzyl-2-methyltridecan-2-amine;hydrochloride

C21H38ClN — CID 173095705

IUPACN-benzyl-2-methyltridecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCC(C)(C)NCc1ccccc1.Cl
InChIInChI=1S/C21H37N.ClH/c1-4-5-6-7-8-9-10-11-15-18-21(2,3)22-19-20-16-13-12-14-17-20;/h12-14,16-17,22H,4-11,15,18-19H2,1-3H3;1H
InChIKeyIIOFNSRNVUOVPP-UHFFFAOYSA-N
MW340.00 g/mol
LogP6.90
Rot. Bonds13

About N-benzyl-2-methyltridecan-2-amine;hydrochloride

N-benzyl-2-methyltridecan-2-amine;hydrochloride (PubChem CID 173095705) has the molecular formula C21H38ClN and a molecular weight of 340.00 g/mol. Its IUPAC name is N-benzyl-2-methyltridecan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-methyltridecan-2-amine;hydrochloride
PubChem CID173095705
Molecular FormulaC21H38ClN
Molecular Weight340.00 g/mol
Exact Mass339.27
IUPAC NameN-benzyl-2-methyltridecan-2-amine;hydrochloride
SMILESCCCCCCCCCCCC(C)(C)NCc1ccccc1.Cl
InChIInChI=1S/C21H37N.ClH/c1-4-5-6-7-8-9-10-11-15-18-21(2,3)22-19-20-16-13-12-14-17-20;/h12-14,16-17,22H,4-11,15,18-19H2,1-3H3;1H
InChIKeyIIOFNSRNVUOVPP-UHFFFAOYSA-N
XLogP6.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.00
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-2-methyltridecan-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-benzyl-2-methylnonan-2-amine
CID 54410414
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine;hydrochloride
CID 174782012
N-(2-methyl-4-phenylbutan-2-yl)hexan-1-amine
CID 113472369
2-(benzylamino)-2-methylheptanoic acid
CID 80557654
3-(benzylamino)-3-undecylpentane-1,5-diol
CID 19864613
N-(2-methyl-1-phenylpropan-2-yl)octadecan-1-amine
CID 19865267
N-(2-methyltridecan-2-yl)aniline
CID 67784312
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine
CID 19606660
3,3-dimethyltetradecylbenzene
CID 141108755
2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride
CID 173417720
N-ethyl-2-methyloctan-2-amine
CID 123477104

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyltridecan-2-amine;hydrochloride?
The IUPAC name of N-benzyl-2-methyltridecan-2-amine;hydrochloride (CID 173095705) is N-benzyl-2-methyltridecan-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-2-methyltridecan-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-2-methyltridecan-2-amine;hydrochloride is CCCCCCCCCCCC(C)(C)NCc1ccccc1.Cl.
What is the InChIKey of N-benzyl-2-methyltridecan-2-amine;hydrochloride?
The InChIKey is IIOFNSRNVUOVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N.ClH/c1-4-5-6-7-8-9-10-11-15-18-21(2,3)22-19-20-16-13-12-14-17-20;/h12-14,16-17,22H,4-11,15,18-19H2,1-3H3;1H.
What are the key properties of N-benzyl-2-methyltridecan-2-amine;hydrochloride?
N-benzyl-2-methyltridecan-2-amine;hydrochloride has a molecular weight of 340.00 g/mol, XLogP of 6.90, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyltridecan-2-amine;hydrochloride is sourced from PubChem (CID 173095705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).