N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine

C14H25N3 — CID 63695102

IUPACN'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(CN)ccc1N(C)CCCN(C)C
InChIInChI=1S/C14H25N3/c1-12-10-13(11-15)6-7-14(12)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9,11,15H2,1-4H3
InChIKeyOYSAYAIKBNKYCP-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.84
Rot. Bonds6

About N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63695102) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63695102
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1cc(CN)ccc1N(C)CCCN(C)C
InChIInChI=1S/C14H25N3/c1-12-10-13(11-15)6-7-14(12)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9,11,15H2,1-4H3
InChIKeyOYSAYAIKBNKYCP-UHFFFAOYSA-N
XLogP1.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N'-trimethyl-N'-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]propane-1,3-diamine
CID 63699204
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
4-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2-dimethylaniline
CID 60929562
4-(aminomethyl)-2-bromo-N-butyl-N-methylaniline
CID 82795159
4-(bromomethyl)-N,2-dimethyl-N-pentylaniline
CID 107080122
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
4-(aminomethyl)-N,2-dimethyl-N-phenylaniline
CID 60930151
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,2-dimethylaniline
CID 61413515
4-(aminomethyl)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55209219
N'-[3-(N,2-dimethylanilino)propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 69433807
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345

Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63695102) is N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1cc(CN)ccc1N(C)CCCN(C)C.
What is the InChIKey of N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is OYSAYAIKBNKYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12-10-13(11-15)6-7-14(12)17(4)9-5-8-16(2)3/h6-7,10H,5,8-9,11,15H2,1-4H3.
What are the key properties of N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)-2-methylphenyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63695102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).