1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

C17H27N3 — CID 114515233

IUPAC1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN1CCC(CCNC2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C17H27N3/c1-20-10-7-13(8-11-20)6-9-19-17-5-2-14-12-15(18)3-4-16(14)17/h3-4,12-13,17,19H,2,5-11,18H2,1H3
InChIKeyXXQJKOREFMLKGF-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.58
Rot. Bonds4

About 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 114515233) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID114515233
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN1CCC(CCNC2CCc3cc(N)ccc32)CC1
InChIInChI=1S/C17H27N3/c1-20-10-7-13(8-11-20)6-9-19-17-5-2-14-12-15(18)3-4-16(14)17/h3-4,12-13,17,19H,2,5-11,18H2,1H3
InChIKeyXXQJKOREFMLKGF-UHFFFAOYSA-N
XLogP2.58
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methylpyrrolidine-3-carboxamide
CID 79741197
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115717469
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730901
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740768
1-N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724117
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 114515233) is 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is CN1CCC(CCNC2CCc3cc(N)ccc32)CC1.
What is the InChIKey of 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is XXQJKOREFMLKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-20-10-7-13(8-11-20)6-9-19-17-5-2-14-12-15(18)3-4-16(14)17/h3-4,12-13,17,19H,2,5-11,18H2,1H3.
What are the key properties of 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 114515233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).