1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine

C20H27N — CID 114939357

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c3c(cccc13)CC2)C(C)CC
InChIInChI=1S/C20H27N/c1-4-13-21-20(14(3)5-2)18-12-11-16-10-9-15-7-6-8-17(18)19(15)16/h6-8,11-12,14,20-21H,4-5,9-10,13H2,1-3H3
InChIKeyJTGSZWQXFYYCAW-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.03
Rot. Bonds6

About 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine

1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 114939357) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID114939357
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc2c3c(cccc13)CC2)C(C)CC
InChIInChI=1S/C20H27N/c1-4-13-21-20(14(3)5-2)18-12-11-16-10-9-15-7-6-8-17(18)19(15)16/h6-8,11-12,14,20-21H,4-5,9-10,13H2,1-3H3
InChIKeyJTGSZWQXFYYCAW-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine
CID 114939334
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
1-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-N-propylbutan-1-amine
CID 114745351
2-methyl-N-propyl-1-(2,3,4-trimethoxyphenyl)butan-1-amine
CID 43589090
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
CID 114939277
1-(2-bromo-3,4-difluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 107539437
1-(2-methoxy-3,4-dimethylphenyl)-2-methyl-N-propylpentan-1-amine
CID 103435219
1-(5-bromo-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
CID 105017274
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105394946
1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
CID 106851980

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine (CID 114939357) is 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1ccc2c3c(cccc13)CC2)C(C)CC.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is JTGSZWQXFYYCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-13-21-20(14(3)5-2)18-12-11-16-10-9-15-7-6-8-17(18)19(15)16/h6-8,11-12,14,20-21H,4-5,9-10,13H2,1-3H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine?
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 114939357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).