N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen

C10H25N3 — CID 171627808

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
SMILESCC(C)NCCN1CCN(C)CC1.[H][H]
InChIInChI=1S/C10H23N3.H2/c1-10(2)11-4-5-13-8-6-12(3)7-9-13;/h10-11H,4-9H2,1-3H3;1H
InChIKeyVGDUREZPACOKRC-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.48
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen

N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen (PubChem CID 171627808) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
PubChem CID171627808
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
SMILESCC(C)NCCN1CCN(C)CC1.[H][H]
InChIInChI=1S/C10H23N3.H2/c1-10(2)11-4-5-13-8-6-12(3)7-9-13;/h10-11H,4-9H2,1-3H3;1H
InChIKeyVGDUREZPACOKRC-UHFFFAOYSA-N
XLogP0.48
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 62438503
N-[2-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)ethyl]propan-2-amine
CID 159674202
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 60923926
N-[2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]ethyl]propan-2-amine;molecular hydrogen
CID 176576480
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
CID 62573209
2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol
CID 65338096
(2S)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butan-1-ol
CID 82889379
4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 54861123

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen (CID 171627808) is N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen is CC(C)NCCN1CCN(C)CC1.[H][H].
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen?
The InChIKey is VGDUREZPACOKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3.H2/c1-10(2)11-4-5-13-8-6-12(3)7-9-13;/h10-11H,4-9H2,1-3H3;1H.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen?
N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen has a molecular weight of 187.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen is sourced from PubChem (CID 171627808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).