2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine

C20H35N — CID 63496720

IUPAC2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
SMILESCCCCC(CC)CC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C20H35N/c1-5-7-11-18(6-2)14-20(16-21-17(3)4)15-19-12-9-8-10-13-19/h8-10,12-13,17-18,20-21H,5-7,11,14-16H2,1-4H3
InChIKeyMGKYCNKMYRYODX-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.45
Rot. Bonds11

About 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine

2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine (PubChem CID 63496720) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine.

Molecular Properties

Compound Name2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
PubChem CID63496720
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
SMILESCCCCC(CC)CC(CNC(C)C)Cc1ccccc1
InChIInChI=1S/C20H35N/c1-5-7-11-18(6-2)14-20(16-21-17(3)4)15-19-12-9-8-10-13-19/h8-10,12-13,17-18,20-21H,5-7,11,14-16H2,1-4H3
InChIKeyMGKYCNKMYRYODX-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-benzyl-N-propan-2-ylbutan-1-amine
CID 62528668
2-ethyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 62528968
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097173
2-benzyl-N-methylhexan-1-amine
CID 62529253
(2S)-2-(2-ethylhexylamino)-3-phenylpropanoic acid
CID 68969533
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
(3S)-3-benzylheptan-1-ol
CID 15214037
4-ethyl-2-methyl-N-propan-2-yloctan-1-amine
CID 63496025
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine?
The IUPAC name of 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine (CID 63496720) is 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine.
What is the SMILES notation for 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine?
The canonical SMILES for 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine is CCCCC(CC)CC(CNC(C)C)Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine?
The InChIKey is MGKYCNKMYRYODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-5-7-11-18(6-2)14-20(16-21-17(3)4)15-19-12-9-8-10-13-19/h8-10,12-13,17-18,20-21H,5-7,11,14-16H2,1-4H3.
What are the key properties of 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine?
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.45, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine is sourced from PubChem (CID 63496720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).