N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine

C11H25N3 — CID 63609661

IUPACN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3/c1-10(2)12-5-6-14-8-7-13(4)11(3)9-14/h10-12H,5-9H2,1-4H3
InChIKeyCXWXXYNOTGBJDP-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.62
Rot. Bonds4

About N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine

N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine (PubChem CID 63609661) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
PubChem CID63609661
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCC(C)NCCN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3/c1-10(2)12-5-6-14-8-7-13(4)11(3)9-14/h10-12H,5-9H2,1-4H3
InChIKeyCXWXXYNOTGBJDP-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]ethanamine
CID 63621690
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464074
N-[3-(3,4-dimethylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63609305
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216809
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
N-[2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethyl]propan-2-amine
CID 177193446
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 63620169
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine (CID 63609661) is N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine is CC(C)NCCN1CCN(C)C(C)C1.
What is the InChIKey of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine?
The InChIKey is CXWXXYNOTGBJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(2)12-5-6-14-8-7-13(4)11(3)9-14/h10-12H,5-9H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine?
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 63609661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).