2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H29NO — CID 115419211

IUPAC2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCCCOC1CC(C)c2ccccc2C1N
InChIInChI=1S/C18H29NO/c1-3-4-5-6-9-12-20-17-13-14(2)15-10-7-8-11-16(15)18(17)19/h7-8,10-11,14,17-18H,3-6,9,12-13,19H2,1-2H3
InChIKeyZVCLTLUFQUFXAJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.55
Rot. Bonds7

About 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115419211) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115419211
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCCCOC1CC(C)c2ccccc2C1N
InChIInChI=1S/C18H29NO/c1-3-4-5-6-9-12-20-17-13-14(2)15-10-7-8-11-16(15)18(17)19/h7-8,10-11,14,17-18H,3-6,9,12-13,19H2,1-2H3
InChIKeyZVCLTLUFQUFXAJ-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115419211) is 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCCCCOC1CC(C)c2ccccc2C1N.
What is the InChIKey of 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZVCLTLUFQUFXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-5-6-9-12-20-17-13-14(2)15-10-7-8-11-16(15)18(17)19/h7-8,10-11,14,17-18H,3-6,9,12-13,19H2,1-2H3.
What are the key properties of 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115419211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).