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

C16H19N — CID 114939280

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H19N/c1-3-15(17-2)13-10-9-12-8-7-11-5-4-6-14(13)16(11)12/h4-6,9-10,15,17H,3,7-8H2,1-2H3
InChIKeyUPSPMUAXLWBKSM-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.61
Rot. Bonds3

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

1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine (PubChem CID 114939280) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
PubChem CID114939280
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C16H19N/c1-3-15(17-2)13-10-9-12-8-7-11-5-4-6-14(13)16(11)12/h4-6,9-10,15,17H,3,7-8H2,1-2H3
InChIKeyUPSPMUAXLWBKSM-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
CID 114939296
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
CID 114939277
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
1-(1,2-dihydroacenaphthylen-5-yl)-2-ethylbutan-1-ol
CID 114939555
1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine
CID 114939334
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114939357
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
CID 106851980
1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
CID 91678699
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 114939266
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114939283
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114939321

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine (CID 114939280) is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine is CCC(NC)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine?
The InChIKey is UPSPMUAXLWBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-3-15(17-2)13-10-9-12-8-7-11-5-4-6-14(13)16(11)12/h4-6,9-10,15,17H,3,7-8H2,1-2H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine?
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.61, 3 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-methylpropan-1-amine is sourced from PubChem (CID 114939280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).