N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine

C15H24N4 — CID 83011647

IUPACN-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2(CN)Cc3ccccc3C2)CC1
InChIInChI=1S/C15H24N4/c1-18-6-8-19(9-7-18)17-15(12-16)10-13-4-2-3-5-14(13)11-15/h2-5,17H,6-12,16H2,1H3
InChIKeyYVVJRXSVCMXIRT-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.23
Rot. Bonds3

About N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine

N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine (PubChem CID 83011647) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine
PubChem CID83011647
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine
SMILESCN1CCN(NC2(CN)Cc3ccccc3C2)CC1
InChIInChI=1S/C15H24N4/c1-18-6-8-19(9-7-18)17-15(12-16)10-13-4-2-3-5-14(13)11-15/h2-5,17H,6-12,16H2,1H3
InChIKeyYVVJRXSVCMXIRT-UHFFFAOYSA-N
XLogP0.23
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine?
The IUPAC name of N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine (CID 83011647) is N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine.
What is the SMILES notation for N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine?
The canonical SMILES for N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine is CN1CCN(NC2(CN)Cc3ccccc3C2)CC1.
What is the InChIKey of N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine?
The InChIKey is YVVJRXSVCMXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-18-6-8-19(9-7-18)17-15(12-16)10-13-4-2-3-5-14(13)11-15/h2-5,17H,6-12,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine?
N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine has a molecular weight of 260.38 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-4-methylpiperazin-1-amine is sourced from PubChem (CID 83011647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).