1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine

C18H23NO — CID 115506237

IUPAC1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine
SMILESC=CCCCC(N)Cc1cccc2ccc(OC)cc12
InChIInChI=1S/C18H23NO/c1-3-4-5-9-16(19)12-15-8-6-7-14-10-11-17(20-2)13-18(14)15/h3,6-8,10-11,13,16H,1,4-5,9,12,19H2,2H3
InChIKeyGZXZUEJCYDLZAJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.07
Rot. Bonds7

About 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine

1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine (PubChem CID 115506237) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine.

Molecular Properties

Compound Name1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine
PubChem CID115506237
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine
SMILESC=CCCCC(N)Cc1cccc2ccc(OC)cc12
InChIInChI=1S/C18H23NO/c1-3-4-5-9-16(19)12-15-8-6-7-14-10-11-17(20-2)13-18(14)15/h3,6-8,10-11,13,16H,1,4-5,9,12,19H2,2H3
InChIKeyGZXZUEJCYDLZAJ-UHFFFAOYSA-N
XLogP4.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methoxynaphthalen-1-yl)-4-methylsulfonylbutan-2-amine
CID 115506223
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
4-(6-methoxynaphthalen-1-yl)butane-1,3-diamine
CID 57131383
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
CID 83148133
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
[5-methoxy-1-(7-methoxynaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105260335
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340
1-(furan-3-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506225
1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
1-methoxy-3-(7-methoxynaphthalen-1-yl)-N-methylpropan-2-amine
CID 115506270

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine?
The IUPAC name of 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine (CID 115506237) is 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine.
What is the SMILES notation for 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine?
The canonical SMILES for 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine is C=CCCCC(N)Cc1cccc2ccc(OC)cc12.
What is the InChIKey of 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine?
The InChIKey is GZXZUEJCYDLZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-4-5-9-16(19)12-15-8-6-7-14-10-11-17(20-2)13-18(14)15/h3,6-8,10-11,13,16H,1,4-5,9,12,19H2,2H3.
What are the key properties of 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine?
1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxynaphthalen-1-yl)hept-6-en-2-amine is sourced from PubChem (CID 115506237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).