1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine

C13H21ClN2O — CID 103032348

IUPAC1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1ccncc1Cl
InChIInChI=1S/C13H21ClN2O/c1-13(2,17-4)7-5-12(15-3)10-6-8-16-9-11(10)14/h6,8-9,12,15H,5,7H2,1-4H3
InChIKeyPZXTVCLMEIDMSU-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.20
Rot. Bonds6

About 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine

1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103032348) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103032348
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCNC(CCC(C)(C)OC)c1ccncc1Cl
InChIInChI=1S/C13H21ClN2O/c1-13(2,17-4)7-5-12(15-3)10-6-8-16-9-11(10)14/h6,8-9,12,15H,5,7H2,1-4H3
InChIKeyPZXTVCLMEIDMSU-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103032348) is 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine is CNC(CCC(C)(C)OC)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is PZXTVCLMEIDMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-13(2,17-4)7-5-12(15-3)10-6-8-16-9-11(10)14/h6,8-9,12,15H,5,7H2,1-4H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 256.78 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103032348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).