N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide

C16H22N2O — CID 115629535

IUPACN-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C16H22N2O/c19-16(14-6-7-14)18-9-8-17-11-12-4-5-13-2-1-3-15(13)10-12/h4-5,10,14,17H,1-3,6-9,11H2,(H,18,19)
InChIKeyUEGMXYAQDOKRAH-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide

N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115629535) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
PubChem CID115629535
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1ccc2c(c1)CCC2)C1CC1
InChIInChI=1S/C16H22N2O/c19-16(14-6-7-14)18-9-8-17-11-12-4-5-13-2-1-3-15(13)10-12/h4-5,10,14,17H,1-3,6-9,11H2,(H,18,19)
InChIKeyUEGMXYAQDOKRAH-UHFFFAOYSA-N
XLogP1.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.79
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

N-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropanecarboxamide
CID 110787330
N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclobutanecarboxamide
CID 110787783
4-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]benzamide
CID 47129696
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)azetidine-3-carboxamide
CID 115158822
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-[2-[(3,5-dimethoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112234
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
CID 106844899
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]cyclopentanecarboxamide
CID 136515996
N-[(2-formyl-1,3-dihydroisoindol-5-yl)methyl]cyclopropanecarboxamide
CID 89385442
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide (CID 115629535) is N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNCc1ccc2c(c1)CCC2)C1CC1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is UEGMXYAQDOKRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(14-6-7-14)18-9-8-17-11-12-4-5-13-2-1-3-15(13)10-12/h4-5,10,14,17H,1-3,6-9,11H2,(H,18,19).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide?
N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115629535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).