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

C17H27N3 — CID 79730901

IUPAC1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(CNC1CCc2cc(N)ccc21)N1CCCCC1
InChIInChI=1S/C17H27N3/c1-13(20-9-3-2-4-10-20)12-19-17-8-5-14-11-15(18)6-7-16(14)17/h6-7,11,13,17,19H,2-5,8-10,12,18H2,1H3
InChIKeyPAVFZVXAGGKSQB-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.72
Rot. Bonds4

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

1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79730901) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79730901
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
SMILESCC(CNC1CCc2cc(N)ccc21)N1CCCCC1
InChIInChI=1S/C17H27N3/c1-13(20-9-3-2-4-10-20)12-19-17-8-5-14-11-15(18)6-7-16(14)17/h6-7,11,13,17,19H,2-5,8-10,12,18H2,1H3
InChIKeyPAVFZVXAGGKSQB-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740768
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094
N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 61009603
1-N-(2-ethoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 113477076
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-[[1-(dimethylamino)cyclohexyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79736616
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 83116527
1-N-(1-propylpiperidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724206
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine (CID 79730901) is 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine is CC(CNC1CCc2cc(N)ccc21)N1CCCCC1.
What is the InChIKey of 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is PAVFZVXAGGKSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(20-9-3-2-4-10-20)12-19-17-8-5-14-11-15(18)6-7-16(14)17/h6-7,11,13,17,19H,2-5,8-10,12,18H2,1H3.
What are the key properties of 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine?
1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 273.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79730901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).