2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine

C12H21N3 — CID 63842921

IUPAC2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
SMILESCCC(CC)C(C)Nc1ccc(N)cn1
InChIInChI=1S/C12H21N3/c1-4-10(5-2)9(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyXJSSIXJOXOMQFB-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds5

About 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine

2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine (PubChem CID 63842921) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
PubChem CID63842921
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
SMILESCCC(CC)C(C)Nc1ccc(N)cn1
InChIInChI=1S/C12H21N3/c1-4-10(5-2)9(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyXJSSIXJOXOMQFB-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-pentan-3-ylpyridine-2,5-diamine
CID 16775519
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
N-(3-ethylpentan-2-yl)-5-fluoropyridin-2-amine
CID 63836752
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330
5-amino-N-(3-ethylpentan-2-yl)pyridine-2-carboxamide
CID 81317024
5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
CID 63842404
2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768492
2-[(5-amino-2-pyridinyl)amino]propanoic acid
CID 117044543
2-N-ethylpyridine-2,5-diamine;hydrochloride
CID 134080457
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
2-N-(1-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 43524034
2-N-(2,3-dimethylbutyl)pyridine-2,5-diamine
CID 64570407

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine (CID 63842921) is 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine is CCC(CC)C(C)Nc1ccc(N)cn1.
What is the InChIKey of 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine?
The InChIKey is XJSSIXJOXOMQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-10(5-2)9(3)15-12-7-6-11(13)8-14-12/h6-10H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine?
2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 63842921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).