2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine

C19H33N — CID 63496731

IUPAC2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
SMILESCCCC(C)CC(CNCC(C)C)Cc1ccccc1
InChIInChI=1S/C19H33N/c1-5-9-17(4)12-19(15-20-14-16(2)3)13-18-10-7-6-8-11-18/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3
InChIKeyOQMGJLZKMOELPU-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.92
Rot. Bonds10

About 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine

2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine (PubChem CID 63496731) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
PubChem CID63496731
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
SMILESCCCC(C)CC(CNCC(C)C)Cc1ccccc1
InChIInChI=1S/C19H33N/c1-5-9-17(4)12-19(15-20-14-16(2)3)13-18-10-7-6-8-11-18/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3
InChIKeyOQMGJLZKMOELPU-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-(2-methylpropyl)-3-phenylpropan-1-amine
CID 63496022
N-(2-benzyl-4-methylheptyl)cyclopropanamine
CID 55196781
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236
2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylheptan-1-amine
CID 55195075
2-benzyl-N-(2-methylpropyl)-3-trimethylsilylpropan-1-amine
CID 106323109
2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 63496197
2-[(4-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521367
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
2-benzyl-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036646
(4-methyl-2-methylsulfanylheptyl)benzene
CID 70206461

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine?
The IUPAC name of 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine (CID 63496731) is 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine.
What is the SMILES notation for 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine?
The canonical SMILES for 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine is CCCC(C)CC(CNCC(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine?
The InChIKey is OQMGJLZKMOELPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-9-17(4)12-19(15-20-14-16(2)3)13-18-10-7-6-8-11-18/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3.
What are the key properties of 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine?
2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-(2-methylpropyl)heptan-1-amine is sourced from PubChem (CID 63496731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).