5-(aminomethyl)-2-[(dimethylamino)methyl]aniline

C10H17N3 — CID 82503671

IUPAC5-(aminomethyl)-2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccc(CN)cc1N
InChIInChI=1S/C10H17N3/c1-13(2)7-9-4-3-8(6-11)5-10(9)12/h3-5H,6-7,11-12H2,1-2H3
InChIKeyWXXQQAOYBLYFMT-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.79
Rot. Bonds3

About 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline

5-(aminomethyl)-2-[(dimethylamino)methyl]aniline (PubChem CID 82503671) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound Name5-(aminomethyl)-2-[(dimethylamino)methyl]aniline
PubChem CID82503671
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-(aminomethyl)-2-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccc(CN)cc1N
InChIInChI=1S/C10H17N3/c1-13(2)7-9-4-3-8(6-11)5-10(9)12/h3-5H,6-7,11-12H2,1-2H3
InChIKeyWXXQQAOYBLYFMT-UHFFFAOYSA-N
XLogP0.79
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
2-[(dimethylamino)methyl]-5-methoxyaniline
CID 53407611
3-amino-4-[(dimethylamino)methyl]benzoic acid
CID 23009719
2,5-bis[4-(dimethylamino)butyl]aniline
CID 19907339
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
4-(aminomethyl)-2-methylaniline
CID 18727732
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-iodoaniline
CID 11164446
2-[2-[(dimethylamino)methyl]phenyl]sulfanyl-5-(2-fluoroethyl)aniline
CID 11483535
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-(125I)iodo(125I)aniline
CID 10316689
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline?
The IUPAC name of 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline (CID 82503671) is 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline.
What is the SMILES notation for 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline?
The canonical SMILES for 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline is CN(C)Cc1ccc(CN)cc1N.
What is the InChIKey of 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline?
The InChIKey is WXXQQAOYBLYFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13(2)7-9-4-3-8(6-11)5-10(9)12/h3-5H,6-7,11-12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline?
5-(aminomethyl)-2-[(dimethylamino)methyl]aniline has a molecular weight of 179.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 82503671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).