N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine

C18H32N2 — CID 62262100

IUPACN-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)Cc1ccccc1
InChIInChI=1S/C18H32N2/c1-7-18(5,14-19-17(2,3)4)15-20(6)13-16-11-9-8-10-12-16/h8-12,19H,7,13-15H2,1-6H3
InChIKeyMFKPEZGAZUIHAV-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.92
Rot. Bonds7

About N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine

N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine (PubChem CID 62262100) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
PubChem CID62262100
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)Cc1ccccc1
InChIInChI=1S/C18H32N2/c1-7-18(5,14-19-17(2,3)4)15-20(6)13-16-11-9-8-10-12-16/h8-12,19H,7,13-15H2,1-6H3
InChIKeyMFKPEZGAZUIHAV-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271540
N-tert-butyl-N'-[(3-chlorophenyl)methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 63495152
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 62255918
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62256830
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261769
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257217
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255946
N-cyclopropyl-2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62259472
N'-benzyl-N-tert-butyl-N'-methylbutane-1,4-diamine
CID 62423998
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine (CID 62262100) is N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine?
The InChIKey is MFKPEZGAZUIHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-18(5,14-19-17(2,3)4)15-20(6)13-16-11-9-8-10-12-16/h8-12,19H,7,13-15H2,1-6H3.
What are the key properties of N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine?
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62262100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).