1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine

C17H27N3 — CID 79740768

IUPAC1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(CNC1CCc2cc(N)ccc21)CN1CCCC1
InChIInChI=1S/C17H27N3/c1-13(12-20-8-2-3-9-20)11-19-17-7-4-14-10-15(18)5-6-16(14)17/h5-6,10,13,17,19H,2-4,7-9,11-12,18H2,1H3
InChIKeyWVQSXDBHIYCPHY-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.58
Rot. Bonds5

About 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine

1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79740768) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79740768
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(CNC1CCc2cc(N)ccc21)CN1CCCC1
InChIInChI=1S/C17H27N3/c1-13(12-20-8-2-3-9-20)11-19-17-7-4-14-10-15(18)5-6-16(14)17/h5-6,10,13,17,19H,2-4,7-9,11-12,18H2,1H3
InChIKeyWVQSXDBHIYCPHY-UHFFFAOYSA-N
XLogP2.58
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-methyl-3-pyrrolidin-1-ylpropyl)-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-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 62994581
1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730901
6-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81298545
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 113477076
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773752
1-N-[2-(dimethylamino)-3-ethylpentyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737102
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 83009052
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729065
2-iodo-N-(2-methyl-3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82012145

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79740768) is 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine is CC(CNC1CCc2cc(N)ccc21)CN1CCCC1.
What is the InChIKey of 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is WVQSXDBHIYCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(12-20-8-2-3-9-20)11-19-17-7-4-14-10-15(18)5-6-16(14)17/h5-6,10,13,17,19H,2-4,7-9,11-12,18H2,1H3.
What are the key properties of 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79740768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).