3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one

C15H22N2O — CID 19995564

IUPAC3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one
SMILESCC(C)CCNC1C(=O)C(N)Cc2ccccc21
InChIInChI=1S/C15H22N2O/c1-10(2)7-8-17-14-12-6-4-3-5-11(12)9-13(16)15(14)18/h3-6,10,13-14,17H,7-9,16H2,1-2H3
InChIKeyYRIKDCVSANIUDN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one

3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 19995564) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one
PubChem CID19995564
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one
SMILESCC(C)CCNC1C(=O)C(N)Cc2ccccc21
InChIInChI=1S/C15H22N2O/c1-10(2)7-8-17-14-12-6-4-3-5-11(12)9-13(16)15(14)18/h3-6,10,13-14,17H,7-9,16H2,1-2H3
InChIKeyYRIKDCVSANIUDN-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-(3-methylbutylamino)-2,3-dihydro-1H-inden-1-ol
CID 99831571
N-(2-methylpropyl)-9,10-dihydroanthracen-9-amine
CID 62919912
3-amino-1-(1-aminoprop-2-enyl)-3,4-dihydro-1H-naphthalen-2-one
CID 67865970
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111073412
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-methylpentanamide
CID 114312813
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
N'-(9,10-dihydroanthracen-9-yl)propane-1,3-diamine
CID 55131389
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313077
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one (CID 19995564) is 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one is CC(C)CCNC1C(=O)C(N)Cc2ccccc21.
What is the InChIKey of 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is YRIKDCVSANIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)7-8-17-14-12-6-4-3-5-11(12)9-13(16)15(14)18/h3-6,10,13-14,17H,7-9,16H2,1-2H3.
What are the key properties of 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one?
3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 246.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylbutylamino)-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 19995564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).