3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide

C16H25N3O — CID 119891327

IUPAC3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(N(C)C)Cc2ccccc2C1
InChIInChI=1S/C16H25N3O/c1-12(17)8-15(20)18-11-16(19(2)3)9-13-6-4-5-7-14(13)10-16/h4-7,12H,8-11,17H2,1-3H3,(H,18,20)
InChIKeyCBJKUGPDRBEVMH-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.94
Rot. Bonds5

About 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide

3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide (PubChem CID 119891327) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide
PubChem CID119891327
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(N(C)C)Cc2ccccc2C1
InChIInChI=1S/C16H25N3O/c1-12(17)8-15(20)18-11-16(19(2)3)9-13-6-4-5-7-14(13)10-16/h4-7,12H,8-11,17H2,1-3H3,(H,18,20)
InChIKeyCBJKUGPDRBEVMH-UHFFFAOYSA-N
XLogP0.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
CID 4787583
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
3-amino-N-[2-(N-methylanilino)ethyl]butanamide
CID 61258847
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]butanamide
CID 119850056
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
(2S,5R)-5-(aminomethyl)-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]oxolane-2-carboxamide
CID 120800926
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]butanamide
CID 119769498
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide (CID 119891327) is 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide is CC(N)CC(=O)NCC1(N(C)C)Cc2ccccc2C1.
What is the InChIKey of 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide?
The InChIKey is CBJKUGPDRBEVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(17)8-15(20)18-11-16(19(2)3)9-13-6-4-5-7-14(13)10-16/h4-7,12H,8-11,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide?
3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide has a molecular weight of 275.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(dimethylamino)-1,3-dihydroinden-2-yl]methyl]butanamide is sourced from PubChem (CID 119891327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).