2-chloro-N-(3-propoxypropyl)pyridin-4-amine

C11H17ClN2O — CID 102824346

IUPAC2-chloro-N-(3-propoxypropyl)pyridin-4-amine
SMILESCCCOCCCNc1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-2-7-15-8-3-5-13-10-4-6-14-11(12)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,13,14)
InChIKeyDBCIPNLGJGLLEI-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.96
Rot. Bonds7

About 2-chloro-N-(3-propoxypropyl)pyridin-4-amine

2-chloro-N-(3-propoxypropyl)pyridin-4-amine (PubChem CID 102824346) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-chloro-N-(3-propoxypropyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-propoxypropyl)pyridin-4-amine
PubChem CID102824346
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-chloro-N-(3-propoxypropyl)pyridin-4-amine
SMILESCCCOCCCNc1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-2-7-15-8-3-5-13-10-4-6-14-11(12)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,13,14)
InChIKeyDBCIPNLGJGLLEI-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82944385
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
2-chloro-N-[3-(4-methoxyphenyl)propyl]pyridin-4-amine
CID 133360019
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
2-chloro-4-(2-propoxyethoxy)pyridine
CID 63778475
2-chloro-4-(2-propoxyethoxymethyl)pyridine
CID 63684727
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103756417
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-propoxypropyl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(3-propoxypropyl)pyridin-4-amine (CID 102824346) is 2-chloro-N-(3-propoxypropyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-propoxypropyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(3-propoxypropyl)pyridin-4-amine is CCCOCCCNc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-propoxypropyl)pyridin-4-amine?
The InChIKey is DBCIPNLGJGLLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-2-7-15-8-3-5-13-10-4-6-14-11(12)9-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(3-propoxypropyl)pyridin-4-amine?
2-chloro-N-(3-propoxypropyl)pyridin-4-amine has a molecular weight of 228.72 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-propoxypropyl)pyridin-4-amine is sourced from PubChem (CID 102824346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).