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

C20H27N — CID 114939277

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H27N/c1-3-4-5-6-10-19(21-2)17-14-13-16-12-11-15-8-7-9-18(17)20(15)16/h7-9,13-14,19,21H,3-6,10-12H2,1-2H3
InChIKeyHRJRRJNNCGRZPF-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.17
Rot. Bonds7

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

1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine (PubChem CID 114939277) 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-methylheptan-1-amine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
PubChem CID114939277
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H27N/c1-3-4-5-6-10-19(21-2)17-14-13-16-12-11-15-8-7-9-18(17)20(15)16/h7-9,13-14,19,21H,3-6,10-12H2,1-2H3
InChIKeyHRJRRJNNCGRZPF-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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,3-dimethylbutan-1-amine
CID 114939296
1-(4-chloronaphthalen-1-yl)-N-methyloctan-1-amine
CID 79591637
2-cyclopentyl-1-(1,2-dihydroacenaphthylen-5-yl)-N-methylethanamine
CID 114939304
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
1-(1,2-dihydroacenaphthylen-5-yl)-N,2-diethylbutan-1-amine
CID 114939334
1-isoquinolin-8-yl-N-methylheptan-1-amine
CID 103137970
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine (CID 114939277) is 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine is CCCCCCC(NC)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine?
The InChIKey is HRJRRJNNCGRZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-4-5-6-10-19(21-2)17-14-13-16-12-11-15-8-7-9-18(17)20(15)16/h7-9,13-14,19,21H,3-6,10-12H2,1-2H3.
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine?
1-(1,2-dihydroacenaphthylen-5-yl)-N-methylheptan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.17, 7 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-methylheptan-1-amine is sourced from PubChem (CID 114939277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).