1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine

C20H27N — CID 114939334

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine
SMILESCCNC(c1ccc2c3c(cccc13)CC2)C(CC)CC
InChIInChI=1S/C20H27N/c1-4-14(5-2)20(21-6-3)18-13-12-16-11-10-15-8-7-9-17(18)19(15)16/h7-9,12-14,20-21H,4-6,10-11H2,1-3H3
InChIKeyAQOJKHCJYJBWHH-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.03
Rot. Bonds6

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

1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine (PubChem CID 114939334) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine
PubChem CID114939334
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine
SMILESCCNC(c1ccc2c3c(cccc13)CC2)C(CC)CC
InChIInChI=1S/C20H27N/c1-4-14(5-2)20(21-6-3)18-13-12-16-11-10-15-8-7-9-17(18)19(15)16/h7-9,12-14,20-21H,4-6,10-11H2,1-3H3
InChIKeyAQOJKHCJYJBWHH-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)-2-ethylbutan-1-ol
CID 114939555
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114939357
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
CID 114939277
1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
CID 114939296
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
CID 106851980
N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
3-(1,2-dihydroacenaphthylen-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 114939848
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
5-(1-chloro-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine (CID 114939334) is 1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine is CCNC(c1ccc2c3c(cccc13)CC2)C(CC)CC.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine?
The InChIKey is AQOJKHCJYJBWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-14(5-2)20(21-6-3)18-13-12-16-11-10-15-8-7-9-17(18)19(15)16/h7-9,12-14,20-21H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine?
1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-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)-N,2-diethylbutan-1-amine is sourced from PubChem (CID 114939334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).