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

C14H23N3 — CID 114011649

IUPACN'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
SMILESCC(C)(C)c1ccc(NCC(N)C2CC2)nc1
InChIInChI=1S/C14H23N3/c1-14(2,3)11-6-7-13(16-8-11)17-9-12(15)10-4-5-10/h6-8,10,12H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyZDTVERNKVXQKNZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.53
Rot. Bonds4

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

N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine (PubChem CID 114011649) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
PubChem CID114011649
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine
SMILESCC(C)(C)c1ccc(NCC(N)C2CC2)nc1
InChIInChI=1S/C14H23N3/c1-14(2,3)11-6-7-13(16-8-11)17-9-12(15)10-4-5-10/h6-8,10,12H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyZDTVERNKVXQKNZ-UHFFFAOYSA-N
XLogP2.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 107874830
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
CID 107875694
1-cyclopropyl-N'-pyridazin-3-ylethane-1,2-diamine
CID 63759108
5-tert-butyl-N-(2-phenylpropyl)pyridin-2-amine
CID 107874865
5-tert-butyl-N-(4-chloro-2-methylbutyl)pyridin-2-amine
CID 107875580
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
1-[(5-tert-butyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 107874714
1-cyclopropyl-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116648669
2-N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-2,3-diamine
CID 114011749
4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
CID 107875701
4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114011527

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine (CID 114011649) is N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine is CC(C)(C)c1ccc(NCC(N)C2CC2)nc1.
What is the InChIKey of N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
The InChIKey is ZDTVERNKVXQKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2,3)11-6-7-13(16-8-11)17-9-12(15)10-4-5-10/h6-8,10,12H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine?
N'-(5-tert-butyl-2-pyridinyl)-1-cyclopropylethane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.53, 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)-1-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 114011649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).