2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine

C18H31NO — CID 104649162

IUPAC2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
SMILESCOCCCCC(CNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C18H31NO/c1-18(2,3)19-15-17(12-8-9-13-20-4)14-16-10-6-5-7-11-16/h5-7,10-11,17,19H,8-9,12-15H2,1-4H3
InChIKeyGDERZRWGRJCMHC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.05
Rot. Bonds9

About 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine

2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine (PubChem CID 104649162) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
PubChem CID104649162
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
SMILESCOCCCCC(CNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C18H31NO/c1-18(2,3)19-15-17(12-8-9-13-20-4)14-16-10-6-5-7-11-16/h5-7,10-11,17,19H,8-9,12-15H2,1-4H3
InChIKeyGDERZRWGRJCMHC-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.05
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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Related Compounds

N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
CID 103036645
[2-(bromomethyl)-6-methoxyhexyl]benzene
CID 104650695
2-benzyl-6-methoxyhexan-1-amine
CID 104649139
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
N-tert-butyl-6-methoxy-2-phenylhexan-1-amine
CID 81024230
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
N-tert-butyl-2-ethyl-5-phenylpentan-1-amine
CID 63522583
N-tert-butyl-2-ethyl-5-methoxypentan-1-amine
CID 62515551

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine?
The IUPAC name of 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine (CID 104649162) is 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine.
What is the SMILES notation for 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine?
The canonical SMILES for 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine is COCCCCC(CNC(C)(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine?
The InChIKey is GDERZRWGRJCMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-18(2,3)19-15-17(12-8-9-13-20-4)14-16-10-6-5-7-11-16/h5-7,10-11,17,19H,8-9,12-15H2,1-4H3.
What are the key properties of 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine?
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine is sourced from PubChem (CID 104649162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).