6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C19H27NO2 — CID 174590366

IUPAC6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILES[H]/N=C(/CCCOc1ccc2c(c1)CCCC2C=O)[C@H](C)CC
InChIInChI=1S/C19H27NO2/c1-3-14(2)19(20)8-5-11-22-17-9-10-18-15(12-17)6-4-7-16(18)13-21/h9-10,12-14,16,20H,3-8,11H2,1-2H3/b20-19-/t14-,16?/m1/s1
InChIKeyNCJDXCJEHHKDLF-XAINLEIASA-N
MW301.43 g/mol
LogP4.53
Rot. Bonds8

About 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 174590366) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID174590366
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILES[H]/N=C(/CCCOc1ccc2c(c1)CCCC2C=O)[C@H](C)CC
InChIInChI=1S/C19H27NO2/c1-3-14(2)19(20)8-5-11-22-17-9-10-18-15(12-17)6-4-7-16(18)13-21/h9-10,12-14,16,20H,3-8,11H2,1-2H3/b20-19-/t14-,16?/m1/s1
InChIKeyNCJDXCJEHHKDLF-XAINLEIASA-N
XLogP4.53
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 142643783
3-[4-[(5R)-4-imino-5-methylheptoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 174590208
ethyl 5-formyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 21289481
6-hexoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55194028
3-[4-[(5R)-4-imino-5-methylheptoxy]phenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
CID 174590200
6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 105455582
N-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]butanamide
CID 107683326
methyl 4-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 107684768
6-(4-methoxybutoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104647002
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721

Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 174590366) is 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is [H]/N=C(/CCCOc1ccc2c(c1)CCCC2C=O)[C@H](C)CC.
What is the InChIKey of 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is NCJDXCJEHHKDLF-XAINLEIASA-N. The full InChI is InChI=1S/C19H27NO2/c1-3-14(2)19(20)8-5-11-22-17-9-10-18-15(12-17)6-4-7-16(18)13-21/h9-10,12-14,16,20H,3-8,11H2,1-2H3/b20-19-/t14-,16?/m1/s1.
What are the key properties of 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 301.43 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5R)-4-imino-5-methylheptoxy]-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 174590366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).