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

C10H23N3 — CID 138613345

IUPAC(3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine
SMILESCC1NCCN([C@H](C)C(C)N)C1C
InChIInChI=1S/C10H23N3/c1-7(11)9(3)13-6-5-12-8(2)10(13)4/h7-10,12H,5-6,11H2,1-4H3/t7?,8?,9-,10?/m1/s1
InChIKeyPVRNPLYXKHUNAT-OWTMBLHMSA-N
MW185.31 g/mol
LogP0.40
Rot. Bonds2

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

(3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine (PubChem CID 138613345) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine.

Molecular Properties

Compound Name(3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine
PubChem CID138613345
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name(3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine
SMILESCC1NCCN([C@H](C)C(C)N)C1C
InChIInChI=1S/C10H23N3/c1-7(11)9(3)13-6-5-12-8(2)10(13)4/h7-10,12H,5-6,11H2,1-4H3/t7?,8?,9-,10?/m1/s1
InChIKeyPVRNPLYXKHUNAT-OWTMBLHMSA-N
XLogP0.40
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-dimethyl-1-propan-2-yl-1,4-diazepane
CID 168910236
4-(2,3-dimethylpiperazin-1-yl)butan-2-amine
CID 67575967
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102726031
3-(2-ethylpyrrolidin-1-yl)butan-2-amine
CID 61354577
(2S,3S)-2,3-dimethylpiperazine
CID 51614849
7-methyl-1-propan-2-yl-1,4-diazepane
CID 64871378
2,3-dimethyl-1-(2-methylpentylsulfonyl)piperazine;hydrochloride
CID 120725770
N'-[2-(2,3-dimethylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 10888935
1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
CID 120613613
1-(4-methylpiperazin-2-yl)ethanamine
CID 116941341

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine?
The IUPAC name of (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine (CID 138613345) is (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine.
What is the SMILES notation for (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine?
The canonical SMILES for (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine is CC1NCCN([C@H](C)C(C)N)C1C.
What is the InChIKey of (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine?
The InChIKey is PVRNPLYXKHUNAT-OWTMBLHMSA-N. The full InChI is InChI=1S/C10H23N3/c1-7(11)9(3)13-6-5-12-8(2)10(13)4/h7-10,12H,5-6,11H2,1-4H3/t7?,8?,9-,10?/m1/s1.
What are the key properties of (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine?
(3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dimethylpiperazin-1-yl)butan-2-amine is sourced from PubChem (CID 138613345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).