1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine

C16H28N2 — CID 65266664

IUPAC1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
SMILESCCN(Cc1ccccc1)CC(C)(C)C(C)(C)N
InChIInChI=1S/C16H28N2/c1-6-18(12-14-10-8-7-9-11-14)13-15(2,3)16(4,5)17/h7-11H,6,12-13,17H2,1-5H3
InChIKeyFZBMIKZUSCFEST-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.27
Rot. Bonds6

About 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine

1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine (PubChem CID 65266664) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
PubChem CID65266664
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine
SMILESCCN(Cc1ccccc1)CC(C)(C)C(C)(C)N
InChIInChI=1S/C16H28N2/c1-6-18(12-14-10-8-7-9-11-14)13-15(2,3)16(4,5)17/h7-11H,6,12-13,17H2,1-5H3
InChIKeyFZBMIKZUSCFEST-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60852613
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CID 131049038
(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
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CID 143474045
1-N,1-N-diethyl-2,3-diphenylpropane-1,2-diamine
CID 43829798
1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
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benzoic acid;N-benzyl-N-ethylethanamine
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CID 65295960

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine?
The IUPAC name of 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine (CID 65266664) is 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine is CCN(Cc1ccccc1)CC(C)(C)C(C)(C)N.
What is the InChIKey of 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine?
The InChIKey is FZBMIKZUSCFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-18(12-14-10-8-7-9-11-14)13-15(2,3)16(4,5)17/h7-11H,6,12-13,17H2,1-5H3.
What are the key properties of 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine?
1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-ethyl-2,2,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 65266664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).