3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride

C14H21ClN2O — CID 119746207

IUPAC3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)C1Cc2ccccc2C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10(15)7-14(17)16(2)13-8-11-5-3-4-6-12(11)9-13;/h3-6,10,13H,7-9,15H2,1-2H3;1H
InChIKeyGXGOMWDCJWRKCX-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride

3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride (PubChem CID 119746207) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
PubChem CID119746207
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
SMILESCC(N)CC(=O)N(C)C1Cc2ccccc2C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10(15)7-14(17)16(2)13-8-11-5-3-4-6-12(11)9-13;/h3-6,10,13H,7-9,15H2,1-2H3;1H
InChIKeyGXGOMWDCJWRKCX-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
CID 119746208
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
CID 119746184
3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
CID 119786339
3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide
CID 61447077
(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
CID 95147060
N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 94646397
(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide
CID 54123680
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
CID 43296719
2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 119325725

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride (CID 119746207) is 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride is CC(N)CC(=O)N(C)C1Cc2ccccc2C1.Cl.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride?
The InChIKey is GXGOMWDCJWRKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10(15)7-14(17)16(2)13-8-11-5-3-4-6-12(11)9-13;/h3-6,10,13H,7-9,15H2,1-2H3;1H.
What are the key properties of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride?
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119746207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).