3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine

C10H24N4 — CID 54370845

IUPAC3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine
SMILESCC1CN(CCCN)CCN1CCN
InChIInChI=1S/C10H24N4/c1-10-9-13(5-2-3-11)7-8-14(10)6-4-12/h10H,2-9,11-12H2,1H3
InChIKeyUTBULGFDZLRVEJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP-0.70
Rot. Bonds5

About 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine

3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine (PubChem CID 54370845) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine
PubChem CID54370845
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine
SMILESCC1CN(CCCN)CCN1CCN
InChIInChI=1S/C10H24N4/c1-10-9-13(5-2-3-11)7-8-14(10)6-4-12/h10H,2-9,11-12H2,1H3
InChIKeyUTBULGFDZLRVEJ-UHFFFAOYSA-N
XLogP-0.70
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 66568123
2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine
CID 166175443
2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 99827529
2-(2-methylazetidin-1-yl)ethanamine
CID 79677018
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
3-[4-(2-cyanoethyl)-3-methylpiperazin-1-yl]propanenitrile
CID 522976
4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide
CID 77000710
3-(3-methylazecan-1-yl)propan-1-amine
CID 10680071
2-(3,4-dimethyl-1,4-diazepan-1-yl)ethanamine
CID 115102298
3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 69258410
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine (CID 54370845) is 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine is CC1CN(CCCN)CCN1CCN.
What is the InChIKey of 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine?
The InChIKey is UTBULGFDZLRVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-10-9-13(5-2-3-11)7-8-14(10)6-4-12/h10H,2-9,11-12H2,1H3.
What are the key properties of 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine?
3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine has a molecular weight of 200.33 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine is sourced from PubChem (CID 54370845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).