N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine

C12H19F2N3 — CID 107875193

IUPACN'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
SMILESCC(C)(C)c1ccc(NCC(F)(F)CN)nc1
InChIInChI=1S/C12H19F2N3/c1-11(2,3)9-4-5-10(16-6-9)17-8-12(13,14)7-15/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyKMKCWGJAKUULTP-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.38
Rot. Bonds4

About N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine

N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine (PubChem CID 107875193) has the molecular formula C12H19F2N3 and a molecular weight of 243.30 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
PubChem CID107875193
Molecular FormulaC12H19F2N3
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC NameN'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
SMILESCC(C)(C)c1ccc(NCC(F)(F)CN)nc1
InChIInChI=1S/C12H19F2N3/c1-11(2,3)9-4-5-10(16-6-9)17-8-12(13,14)7-15/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyKMKCWGJAKUULTP-UHFFFAOYSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile
CID 114384453
3-[[(5-tert-butyl-2-pyridinyl)amino]methyl]pentan-3-ol
CID 107874744
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
CID 107875694
3-[(5-tert-butyl-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 106278300
N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
CID 107875696
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191
5-tert-butyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874798
N'-(5-chloro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
CID 115366147
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
CID 107875701
ethyl 3-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011571

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine?
The IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine (CID 107875193) is N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine is CC(C)(C)c1ccc(NCC(F)(F)CN)nc1.
What is the InChIKey of N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine?
The InChIKey is KMKCWGJAKUULTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3/c1-11(2,3)9-4-5-10(16-6-9)17-8-12(13,14)7-15/h4-6H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine?
N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine has a molecular weight of 243.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine is sourced from PubChem (CID 107875193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).