2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine

C11H23N3 — CID 166175443

IUPAC2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine
SMILESCC1CN(CCN)CCN1CC1CC1
InChIInChI=1S/C11H23N3/c1-10-8-13(5-4-12)6-7-14(10)9-11-2-3-11/h10-11H,2-9,12H2,1H3
InChIKeyDKLBURDALAFSMC-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.36
Rot. Bonds4

About 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine

2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine (PubChem CID 166175443) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine
PubChem CID166175443
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine
SMILESCC1CN(CCN)CCN1CC1CC1
InChIInChI=1S/C11H23N3/c1-10-8-13(5-4-12)6-7-14(10)9-11-2-3-11/h10-11H,2-9,12H2,1H3
InChIKeyDKLBURDALAFSMC-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine (CID 166175443) is 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine is CC1CN(CCN)CCN1CC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine?
The InChIKey is DKLBURDALAFSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-10-8-13(5-4-12)6-7-14(10)9-11-2-3-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine?
2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine has a molecular weight of 197.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)-3-methylpiperazin-1-yl]ethanamine is sourced from PubChem (CID 166175443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).