cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium

C19H29N2O+ — CID 2168300

IUPACcyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium
SMILESCCC[NH+](CCC(=O)Nc1ccc2c(c1)CCC2)CC1CC1
InChIInChI=1S/C19H28N2O/c1-2-11-21(14-15-6-7-15)12-10-19(22)20-18-9-8-16-4-3-5-17(16)13-18/h8-9,13,15H,2-7,10-12,14H2,1H3,(H,20,22)/p+1
InChIKeyYPHQXBPXFYXBON-UHFFFAOYSA-O
MW301.45 g/mol
LogP2.21
Rot. Bonds8

About cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium

cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium (PubChem CID 2168300) has the molecular formula C19H29N2O+ and a molecular weight of 301.45 g/mol. Its IUPAC name is cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium.

Molecular Properties

Compound Namecyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium
PubChem CID2168300
Molecular FormulaC19H29N2O+
Molecular Weight301.45 g/mol
Exact Mass301.23
IUPAC Namecyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium
SMILESCCC[NH+](CCC(=O)Nc1ccc2c(c1)CCC2)CC1CC1
InChIInChI=1S/C19H28N2O/c1-2-11-21(14-15-6-7-15)12-10-19(22)20-18-9-8-16-4-3-5-17(16)13-18/h8-9,13,15H,2-7,10-12,14H2,1H3,(H,20,22)/p+1
InChIKeyYPHQXBPXFYXBON-UHFFFAOYSA-O
XLogP2.21
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropanamide
CID 47160249
N-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypentanamide
CID 79199175
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7431880
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-ethylcyclohexyl)urea
CID 17249572
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
2-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631877
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
N-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanamide
CID 4239191
6-(butanoylamino)-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055291
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium?
The IUPAC name of cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium (CID 2168300) is cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium.
What is the SMILES notation for cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium?
The canonical SMILES for cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium is CCC[NH+](CCC(=O)Nc1ccc2c(c1)CCC2)CC1CC1.
What is the InChIKey of cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium?
The InChIKey is YPHQXBPXFYXBON-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H28N2O/c1-2-11-21(14-15-6-7-15)12-10-19(22)20-18-9-8-16-4-3-5-17(16)13-18/h8-9,13,15H,2-7,10-12,14H2,1H3,(H,20,22)/p+1.
What are the key properties of cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium?
cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium has a molecular weight of 301.45 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-propylazanium is sourced from PubChem (CID 2168300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).