N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine

C14H25N3 — CID 107875694

IUPACN-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H25N3/c1-11(7-8-15)9-16-13-6-5-12(10-17-13)14(2,3)4/h5-6,10-11H,7-9,15H2,1-4H3,(H,16,17)
InChIKeyXRLXYLPNVYIXOK-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.78
Rot. Bonds5

About N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine

N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine (PubChem CID 107875694) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
PubChem CID107875694
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
SMILESCC(CCN)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C14H25N3/c1-11(7-8-15)9-16-13-6-5-12(10-17-13)14(2,3)4/h5-6,10-11H,7-9,15H2,1-4H3,(H,16,17)
InChIKeyXRLXYLPNVYIXOK-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
CID 107875580
5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
5-tert-butyl-N-(2-phenylpropyl)pyridin-2-amine
CID 107874865
N-(2-methylbutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 62693316
N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
CID 114011649
2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine
CID 117044524
5-(2-methylbutan-2-yl)-N-(2-methylpropyl)pyridin-2-amine
CID 163630716
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
CID 107875193
1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 107874714

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine (CID 107875694) is N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine is CC(CCN)CNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine?
The InChIKey is XRLXYLPNVYIXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(7-8-15)9-16-13-6-5-12(10-17-13)14(2,3)4/h5-6,10-11H,7-9,15H2,1-4H3,(H,16,17).
What are the key properties of N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine?
N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.78, 5 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-methylbutane-1,4-diamine is sourced from PubChem (CID 107875694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).