2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine

C19H33NO — CID 103036645

IUPAC2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
SMILESCOC(C)(C)CCC(CNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H33NO/c1-18(2,3)20-15-17(12-13-19(4,5)21-6)14-16-10-8-7-9-11-16/h7-11,17,20H,12-15H2,1-6H3
InChIKeyWNHPJCMNIFYZHA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.44
Rot. Bonds8

About 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine

2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine (PubChem CID 103036645) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
PubChem CID103036645
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine
SMILESCOC(C)(C)CCC(CNC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H33NO/c1-18(2,3)20-15-17(12-13-19(4,5)21-6)14-16-10-8-7-9-11-16/h7-11,17,20H,12-15H2,1-6H3
InChIKeyWNHPJCMNIFYZHA-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
CID 103036686
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
2-benzyl-3-(5-bromothiophen-2-yl)-N-tert-butylpropan-1-amine
CID 63496730
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
N-tert-butyl-2-ethyl-5-phenylpentan-1-amine
CID 63522583

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine?
The IUPAC name of 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine (CID 103036645) is 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine.
What is the SMILES notation for 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine?
The canonical SMILES for 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine is COC(C)(C)CCC(CNC(C)(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine?
The InChIKey is WNHPJCMNIFYZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-18(2,3)20-15-17(12-13-19(4,5)21-6)14-16-10-8-7-9-11-16/h7-11,17,20H,12-15H2,1-6H3.
What are the key properties of 2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine?
2-benzyl-N-tert-butyl-5-methoxy-5-methylhexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.44, 8 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-5-methoxy-5-methylhexan-1-amine is sourced from PubChem (CID 103036645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).