5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine

C11H18ClN3O — CID 82942310

IUPAC5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
SMILESCCCOCCCNc1ncc(Cl)cc1N
InChIInChI=1S/C11H18ClN3O/c1-2-5-16-6-3-4-14-11-10(13)7-9(12)8-15-11/h7-8H,2-6,13H2,1H3,(H,14,15)
InChIKeyUIMLYDXJHQWPRA-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.55
Rot. Bonds7

About 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine

5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine (PubChem CID 82942310) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
PubChem CID82942310
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
SMILESCCCOCCCNc1ncc(Cl)cc1N
InChIInChI=1S/C11H18ClN3O/c1-2-5-16-6-3-4-14-11-10(13)7-9(12)8-15-11/h7-8H,2-6,13H2,1H3,(H,14,15)
InChIKeyUIMLYDXJHQWPRA-UHFFFAOYSA-N
XLogP2.55
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
CID 79021479
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
CID 106007206
3,5,6-trichloro-N-(3-propoxypropyl)pyridin-2-amine
CID 102751695
2-chloro-6-methyl-4-N-(3-propoxypropyl)pyrimidine-4,5-diamine
CID 114043935
N-[3-[(3-amino-5-chloro-2-pyridinyl)amino]propyl]-3-methylbut-2-enamide
CID 82331231
6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82944385
N-(3-butoxypropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 115569610
6-hydrazinyl-4-N-(3-propoxypropyl)pyrimidine-2,4-diamine
CID 82946500
2-chloro-N-(3-propoxypropyl)pyridin-4-amine
CID 102824346

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine (CID 82942310) is 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine is CCCOCCCNc1ncc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine?
The InChIKey is UIMLYDXJHQWPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-2-5-16-6-3-4-14-11-10(13)7-9(12)8-15-11/h7-8H,2-6,13H2,1H3,(H,14,15).
What are the key properties of 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine?
5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine has a molecular weight of 243.74 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine is sourced from PubChem (CID 82942310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).