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

C11H25N3 — CID 65233149

IUPAC2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
SMILESCCC(CN)CN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3/c1-4-11(7-12)9-14-6-5-13(3)10(2)8-14/h10-11H,4-9,12H2,1-3H3
InChIKeyMBRREXWRLOJJAR-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds4

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

2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine (PubChem CID 65233149) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
PubChem CID65233149
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
SMILESCCC(CN)CN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3/c1-4-11(7-12)9-14-6-5-13(3)10(2)8-14/h10-11H,4-9,12H2,1-3H3
InChIKeyMBRREXWRLOJJAR-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
CID 130492464
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 63621228
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
CID 63635767
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
1-cyclopentyl-2-(3,4-dimethylpiperazin-1-yl)-N-methylethanamine
CID 104746257
2-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 81079096
1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505746

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine (CID 65233149) is 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine is CCC(CN)CN1CCN(C)C(C)C1.
What is the InChIKey of 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine?
The InChIKey is MBRREXWRLOJJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-4-11(7-12)9-14-6-5-13(3)10(2)8-14/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine?
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 65233149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).