2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine

C16H26N2 — CID 106892854

IUPAC2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)NCC1Cc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-3-8-17-11-13(2)18-12-14-9-15-6-4-5-7-16(15)10-14/h4-7,13-14,17-18H,3,8-12H2,1-2H3
InChIKeyXXXFNBSUCSNWSJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.38
Rot. Bonds7

About 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine

2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine (PubChem CID 106892854) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine
PubChem CID106892854
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)NCC1Cc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-3-8-17-11-13(2)18-12-14-9-15-6-4-5-7-16(15)10-14/h4-7,13-14,17-18H,3,8-12H2,1-2H3
InChIKeyXXXFNBSUCSNWSJ-UHFFFAOYSA-N
XLogP2.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 106892891
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-2-amine
CID 115906594
N-(2,3-dihydro-1H-inden-2-ylmethyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 114135098
1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine;hydrochloride
CID 121206933
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
CID 106902070
1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553098
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-[[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl]methyl]propan-1-amine
CID 124705292
4-(2,3-dihydro-1-benzothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 79224662
1-(2,3-dihydro-1H-inden-2-yl)-4-methyl-N-propylpentan-1-amine
CID 65412290
2-N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methyl]-1-N-(2,2-diphenylethyl)propane-1,2-diamine
CID 10069001
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574668

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine (CID 106892854) is 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine is CCCNCC(C)NCC1Cc2ccccc2C1.
What is the InChIKey of 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine?
The InChIKey is XXXFNBSUCSNWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-8-17-11-13(2)18-12-14-9-15-6-4-5-7-16(15)10-14/h4-7,13-14,17-18H,3,8-12H2,1-2H3.
What are the key properties of 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine?
2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1H-inden-2-ylmethyl)-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 106892854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).