(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine

C9H21N3 — CID 103934656

IUPAC(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
SMILESCC1CN(C[C@H](C)N)CCN1C
InChIInChI=1S/C9H21N3/c1-8(10)6-12-5-4-11(3)9(2)7-12/h8-9H,4-7,10H2,1-3H3/t8-,9?/m0/s1
InChIKeyXTQWERBCCRGNSB-IENPIDJESA-N
MW171.29 g/mol
LogP-0.03
Rot. Bonds2

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

(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine (PubChem CID 103934656) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
PubChem CID103934656
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
SMILESCC1CN(C[C@H](C)N)CCN1C
InChIInChI=1S/C9H21N3/c1-8(10)6-12-5-4-11(3)9(2)7-12/h8-9H,4-7,10H2,1-3H3/t8-,9?/m0/s1
InChIKeyXTQWERBCCRGNSB-IENPIDJESA-N
XLogP-0.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 63621228
(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660
(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
CID 130492464
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
CID 65233149
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
3-(3,4-dimethylpiperazin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 55217366
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
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
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine (CID 103934656) is (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine is CC1CN(C[C@H](C)N)CCN1C.
What is the InChIKey of (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine?
The InChIKey is XTQWERBCCRGNSB-IENPIDJESA-N. The full InChI is InChI=1S/C9H21N3/c1-8(10)6-12-5-4-11(3)9(2)7-12/h8-9H,4-7,10H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine?
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine has a molecular weight of 171.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 103934656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).