N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride

C13H23ClN2 — CID 119928986

IUPACN'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
SMILESCN(Cc1ccccc1)CC(C)(C)CN.Cl
InChIInChI=1S/C13H22N2.ClH/c1-13(2,10-14)11-15(3)9-12-7-5-4-6-8-12;/h4-8H,9-11,14H2,1-3H3;1H
InChIKeyPQJSCSRKGRTQTC-UHFFFAOYSA-N
MW242.79 g/mol
LogP2.53
Rot. Bonds5

About N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride

N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride (PubChem CID 119928986) has the molecular formula C13H23ClN2 and a molecular weight of 242.79 g/mol. Its IUPAC name is N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
PubChem CID119928986
Molecular FormulaC13H23ClN2
Molecular Weight242.79 g/mol
Exact Mass242.15
IUPAC NameN'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
SMILESCN(Cc1ccccc1)CC(C)(C)CN.Cl
InChIInChI=1S/C13H22N2.ClH/c1-13(2,10-14)11-15(3)9-12-7-5-4-6-8-12;/h4-8H,9-11,14H2,1-3H3;1H
InChIKeyPQJSCSRKGRTQTC-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;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-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-benzyl-N-methylacetamide;hydrochloride
CID 119928823
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
N'-benzyl-N',2-dimethyl-2-phenylpropane-1,3-diamine
CID 62263027
N',2,2-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine;hydrochloride
CID 119928729
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79984527
N',2,2-trimethyl-N'-[[4-(trifluoromethoxy)phenyl]methyl]propane-1,3-diamine
CID 79652388
N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645596
N',2,2-trimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62256476

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride (CID 119928986) is N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride is CN(Cc1ccccc1)CC(C)(C)CN.Cl.
What is the InChIKey of N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is PQJSCSRKGRTQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.ClH/c1-13(2,10-14)11-15(3)9-12-7-5-4-6-8-12;/h4-8H,9-11,14H2,1-3H3;1H.
What are the key properties of N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride?
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 242.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 119928986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).