1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine

C18H23N — CID 114939296

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H23N/c1-12(2)11-17(19-3)15-10-9-14-8-7-13-5-4-6-16(15)18(13)14/h4-6,9-10,12,17,19H,7-8,11H2,1-3H3
InChIKeySQRRPAQEKWXWSM-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.24
Rot. Bonds4

About 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine

1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine (PubChem CID 114939296) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
PubChem CID114939296
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)C)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H23N/c1-12(2)11-17(19-3)15-10-9-14-8-7-13-5-4-6-16(15)18(13)14/h4-6,9-10,12,17,19H,7-8,11H2,1-3H3
InChIKeySQRRPAQEKWXWSM-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2-dihydroacenaphthylen-5-yl)-N-methylpropan-1-amine
CID 114939280
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
CID 114939277
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
1-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114939357
1-(2-bromofuran-3-yl)-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylmethanamine
CID 106851980
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-methylsulfonylpropan-1-amine
CID 114939189
1-(1,2-dihydroacenaphthylen-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114939283
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-(2-methyloxolan-2-yl)methanamine
CID 114939321

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine (CID 114939296) is 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine is CNC(CC(C)C)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is SQRRPAQEKWXWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12(2)11-17(19-3)15-10-9-14-8-7-13-5-4-6-16(15)18(13)14/h4-6,9-10,12,17,19H,7-8,11H2,1-3H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine?
1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.24, 4 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,3-dimethylbutan-1-amine is sourced from PubChem (CID 114939296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).