(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine

C10H23N3 — CID 103934660

IUPAC(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
SMILESCCC1CN(C[C@H](C)N)CCN1C
InChIInChI=1S/C10H23N3/c1-4-10-8-13(7-9(2)11)6-5-12(10)3/h9-10H,4-8,11H2,1-3H3/t9-,10?/m0/s1
InChIKeyRWFMLPZSEVYFGU-RGURZIINSA-N
MW185.32 g/mol
LogP0.36
Rot. Bonds3

About (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine

(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 103934660) has the molecular formula C10H23N3 and a molecular weight of 185.32 g/mol. Its IUPAC name is (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
PubChem CID103934660
Molecular FormulaC10H23N3
Molecular Weight185.32 g/mol
Exact Mass185.19
IUPAC Name(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
SMILESCCC1CN(C[C@H](C)N)CCN1C
InChIInChI=1S/C10H23N3/c1-4-10-8-13(7-9(2)11)6-5-12(10)3/h9-10H,4-8,11H2,1-3H3/t9-,10?/m0/s1
InChIKeyRWFMLPZSEVYFGU-RGURZIINSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine (CID 103934660) is (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine is CCC1CN(C[C@H](C)N)CCN1C.
What is the InChIKey of (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is RWFMLPZSEVYFGU-RGURZIINSA-N. The full InChI is InChI=1S/C10H23N3/c1-4-10-8-13(7-9(2)11)6-5-12(10)3/h9-10H,4-8,11H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine?
(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 185.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 103934660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).