3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

C15H26N4 — CID 82889710

IUPAC3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCN1CCN(CCN(C)c2cccc(CN)c2)CC1
InChIInChI=1S/C15H26N4/c1-17-6-9-19(10-7-17)11-8-18(2)15-5-3-4-14(12-15)13-16/h3-5,12H,6-11,13,16H2,1-2H3
InChIKeyAKQCHXHHRIIKQN-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.83
Rot. Bonds5

About 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline

3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (PubChem CID 82889710) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
PubChem CID82889710
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
SMILESCN1CCN(CCN(C)c2cccc(CN)c2)CC1
InChIInChI=1S/C15H26N4/c1-17-6-9-19(10-7-17)11-8-18(2)15-5-3-4-14(12-15)13-16/h3-5,12H,6-11,13,16H2,1-2H3
InChIKeyAKQCHXHHRIIKQN-UHFFFAOYSA-N
XLogP0.83
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 62969965
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
[3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]phenyl]methanamine
CID 82037299
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 55174994
2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 63206971
[3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676
3-[[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]methyl]benzenecarbothioamide
CID 82888620
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061
3-(4-benzylpiperazin-1-yl)propan-1-amine;ethane;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143648202

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline (CID 82889710) is 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is CN1CCN(CCN(C)c2cccc(CN)c2)CC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
The InChIKey is AKQCHXHHRIIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-17-6-9-19(10-7-17)11-8-18(2)15-5-3-4-14(12-15)13-16/h3-5,12H,6-11,13,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline?
3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 82889710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).