N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine

C18H33N3 — CID 62261769

IUPACN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)CCc1ccccn1
InChIInChI=1S/C18H33N3/c1-7-18(5,14-20-17(2,3)4)15-21(6)13-11-16-10-8-9-12-19-16/h8-10,12,20H,7,11,13-15H2,1-6H3
InChIKeyBLFLXWWEUZYSJS-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.36
Rot. Bonds8

About N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine

N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (PubChem CID 62261769) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
PubChem CID62261769
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)CCc1ccccn1
InChIInChI=1S/C18H33N3/c1-7-18(5,14-20-17(2,3)4)15-21(6)13-11-16-10-8-9-12-19-16/h8-10,12,20H,7,11,13-15H2,1-6H3
InChIKeyBLFLXWWEUZYSJS-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,N',2-trimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 55051379
2-ethyl-N',2-dimethyl-N-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261959
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62255946
N,2-dimethyl-N',2-dipropyl-N-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62262340
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
2-(bromomethyl)-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 65005071
N-methyl-N-[(2-methylpropan-2-yl)oxy]-2-pyridin-2-ylethanamine
CID 162487755
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
CID 62622811

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (CID 62261769) is N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)CCc1ccccn1.
What is the InChIKey of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The InChIKey is BLFLXWWEUZYSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-18(5,14-20-17(2,3)4)15-21(6)13-11-16-10-8-9-12-19-16/h8-10,12,20H,7,11,13-15H2,1-6H3.
What are the key properties of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62261769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).