1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine

C11H25N3 — CID 63608575

IUPAC1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCN(C)C(C)C1)NC
InChIInChI=1S/C11H25N3/c1-5-11(12-3)9-14-7-6-13(4)10(2)8-14/h10-12H,5-9H2,1-4H3
InChIKeyLCZSAVCKFRMNCI-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.62
Rot. Bonds4

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

1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine (PubChem CID 63608575) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
PubChem CID63608575
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
SMILESCCC(CN1CCN(C)C(C)C1)NC
InChIInChI=1S/C11H25N3/c1-5-11(12-3)9-14-7-6-13(4)10(2)8-14/h10-12H,5-9H2,1-4H3
InChIKeyLCZSAVCKFRMNCI-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(3,4-dimethylpiperazin-1-yl)-N-methylethanamine
CID 104746257
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505746
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
CID 65233149
4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
CID 64898612
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
N-methyl-1-(3,4,5-trimethylpiperazin-1-yl)pentan-2-amine
CID 114537886
N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 62039052
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64790393

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine (CID 63608575) is 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine is CCC(CN1CCN(C)C(C)C1)NC.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine?
The InChIKey is LCZSAVCKFRMNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-5-11(12-3)9-14-7-6-13(4)10(2)8-14/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine?
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 63608575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).