3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine

C14H21N3 — CID 105490242

IUPAC3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCN1CCN(C2CCc3ccc(N)cc32)CC1
InChIInChI=1S/C14H21N3/c1-16-6-8-17(9-7-16)14-5-3-11-2-4-12(15)10-13(11)14/h2,4,10,14H,3,5-9,15H2,1H3
InChIKeyNRWNMKUIVMLPOK-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.50
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine

3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 105490242) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
PubChem CID105490242
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
SMILESCN1CCN(C2CCc3ccc(N)cc32)CC1
InChIInChI=1S/C14H21N3/c1-16-6-8-17(9-7-16)14-5-3-11-2-4-12(15)10-13(11)14/h2,4,10,14H,3,5-9,15H2,1H3
InChIKeyNRWNMKUIVMLPOK-UHFFFAOYSA-N
XLogP1.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 129395359
8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105470466
1-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79742082
[4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone
CID 123882865
1-methyl-4-[7-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine
CID 11660943
1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
CID 11558865
1-(4-propylpiperidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 79741362
1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile
CID 67456419
(1S)-1-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 57252553
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
CID 102887555
1-(3-methoxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103541608
5-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 116650618

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine (CID 105490242) is 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine is CN1CCN(C2CCc3ccc(N)cc32)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is NRWNMKUIVMLPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-16-6-8-17(9-7-16)14-5-3-11-2-4-12(15)10-13(11)14/h2,4,10,14H,3,5-9,15H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine?
3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 231.34 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 105490242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).