4-(2,3-dimethylpiperazin-1-yl)butan-2-amine

C10H23N3 — CID 67575967

IUPAC4-(2,3-dimethylpiperazin-1-yl)butan-2-amine
SMILESCC(N)CCN1CCNC(C)C1C
InChIInChI=1S/C10H23N3/c1-8(11)4-6-13-7-5-12-9(2)10(13)3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyVMZNFRIXWBEOMD-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.41
Rot. Bonds3

About 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine

4-(2,3-dimethylpiperazin-1-yl)butan-2-amine (PubChem CID 67575967) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylpiperazin-1-yl)butan-2-amine
PubChem CID67575967
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name4-(2,3-dimethylpiperazin-1-yl)butan-2-amine
SMILESCC(N)CCN1CCNC(C)C1C
InChIInChI=1S/C10H23N3/c1-8(11)4-6-13-7-5-12-9(2)10(13)3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyVMZNFRIXWBEOMD-UHFFFAOYSA-N
XLogP0.41
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 10888935
methyl 4-(2,3-dimethylpiperazin-1-yl)-2,2-dimethylbutanoate
CID 120843271
(3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine
CID 138613345
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane
CID 168910236
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341
1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
CID 120613613
5-[(2,3-dimethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 120967134
2,3-dimethyl-1-(2-methylpentylsulfonyl)piperazine;hydrochloride
CID 120725770
7-methyl-1-(3-methylbutyl)-1,4-diazepane
CID 64870978

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine?
The IUPAC name of 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine (CID 67575967) is 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine is CC(N)CCN1CCNC(C)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine?
The InChIKey is VMZNFRIXWBEOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-8(11)4-6-13-7-5-12-9(2)10(13)3/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine?
4-(2,3-dimethylpiperazin-1-yl)butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 67575967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).