N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine

C20H33N — CID 65308449

IUPACN-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
SMILESCC(C)CNCCCCCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H33N/c1-17(2)16-21-14-8-4-3-5-9-18-12-13-19-10-6-7-11-20(19)15-18/h12-13,15,17,21H,3-11,14,16H2,1-2H3
InChIKeyRYZDFIUKNDOPGG-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.91
Rot. Bonds9

About N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine

N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine (PubChem CID 65308449) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
PubChem CID65308449
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
SMILESCC(C)CNCCCCCCc1ccc2c(c1)CCCC2
InChIInChI=1S/C20H33N/c1-17(2)16-21-14-8-4-3-5-9-18-12-13-19-10-6-7-11-20(19)15-18/h12-13,15,17,21H,3-11,14,16H2,1-2H3
InChIKeyRYZDFIUKNDOPGG-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.91
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

N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
3-methyl-N-(2-methylpropyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 65305015
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 65303583
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
4-(3,3-dimethyl-2H-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 107294634
2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 115219521
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
4-[3-(difluoromethyl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 113329285
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 79976953
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propan-1-amine
CID 64867069

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine?
The IUPAC name of N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine (CID 65308449) is N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine is CC(C)CNCCCCCCc1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine?
The InChIKey is RYZDFIUKNDOPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-17(2)16-21-14-8-4-3-5-9-18-12-13-19-10-6-7-11-20(19)15-18/h12-13,15,17,21H,3-11,14,16H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine?
N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine is sourced from PubChem (CID 65308449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).