3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine

C10H23N3 — CID 116941732

IUPAC3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
SMILESCC(C)C(N)CC1CNCCN1C
InChIInChI=1S/C10H23N3/c1-8(2)10(11)6-9-7-12-4-5-13(9)3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyVYBFISVGGYHRHJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.26
Rot. Bonds3

About 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine

3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine (PubChem CID 116941732) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
PubChem CID116941732
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
SMILESCC(C)C(N)CC1CNCCN1C
InChIInChI=1S/C10H23N3/c1-8(2)10(11)6-9-7-12-4-5-13(9)3/h8-10,12H,4-7,11H2,1-3H3
InChIKeyVYBFISVGGYHRHJ-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733
3-methyl-1-(1-methylpiperidin-2-yl)butan-2-amine
CID 83982236
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
2-(methoxymethyl)-1-methylpiperazine;hydrochloride
CID 178190513
1-methyl-2-prop-2-enylpiperazine
CID 22918318
1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116941744
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
ethane;(1-methylpiperazin-2-yl)methanethiol
CID 171068891
N-ethyl-N-[(1-methylpiperazin-2-yl)methyl]ethanamine
CID 83828882
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-one
CID 116920060
(2S)-2-(2-fluoroethyl)-1-methylpiperazine
CID 124660399

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine?
The IUPAC name of 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine (CID 116941732) is 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine?
The canonical SMILES for 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine is CC(C)C(N)CC1CNCCN1C.
What is the InChIKey of 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine?
The InChIKey is VYBFISVGGYHRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-8(2)10(11)6-9-7-12-4-5-13(9)3/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine?
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine is sourced from PubChem (CID 116941732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).