1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine

C20H27N — CID 114939227

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H27N/c1-3-6-16(7-4-2)20(21)18-13-12-15-11-10-14-8-5-9-17(18)19(14)15/h5,8-9,12-13,16,20H,3-4,6-7,10-11,21H2,1-2H3
InChIKeyMYWLNCNJEZSVRF-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.15
Rot. Bonds6

About 1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine

1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine (PubChem CID 114939227) 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-propylpentan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
PubChem CID114939227
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H27N/c1-3-6-16(7-4-2)20(21)18-13-12-15-11-10-14-8-5-9-17(18)19(14)15/h5,8-9,12-13,16,20H,3-4,6-7,10-11,21H2,1-2H3
InChIKeyMYWLNCNJEZSVRF-UHFFFAOYSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.15
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-methylsulfonylpropan-1-amine
CID 114939189
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
1-(1,2-dihydroacenaphthylen-5-yl)hex-1-yn-3-amine
CID 106226453
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine
CID 114939334
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
CID 114939277
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
CID 66510294
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114939357
methyl 2-[2-amino-2-(1,2-dihydroacenaphthylen-5-yl)ethoxy]acetate
CID 114939383
1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine
CID 114939239

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine (CID 114939227) is 1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine?
The InChIKey is MYWLNCNJEZSVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-6-16(7-4-2)20(21)18-13-12-15-11-10-14-8-5-9-17(18)19(14)15/h5,8-9,12-13,16,20H,3-4,6-7,10-11,21H2,1-2H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine?
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.15, 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-propylpentan-1-amine is sourced from PubChem (CID 114939227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).