3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine

C16H28ClN3O — CID 62283539

IUPAC3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(c1ncc(CNCC(C)C)cc1Cl)C(C)COC
InChIInChI=1S/C16H28ClN3O/c1-6-20(13(4)11-21-5)16-15(17)7-14(10-19-16)9-18-8-12(2)3/h7,10,12-13,18H,6,8-9,11H2,1-5H3
InChIKeyHLROPXMVIQVYCB-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.34
Rot. Bonds9

About 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine

3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 62283539) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID62283539
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(c1ncc(CNCC(C)C)cc1Cl)C(C)COC
InChIInChI=1S/C16H28ClN3O/c1-6-20(13(4)11-21-5)16-15(17)7-14(10-19-16)9-18-8-12(2)3/h7,10,12-13,18H,6,8-9,11H2,1-5H3
InChIKeyHLROPXMVIQVYCB-UHFFFAOYSA-N
XLogP3.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 62283539) is 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine is CCN(c1ncc(CNCC(C)C)cc1Cl)C(C)COC.
What is the InChIKey of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is HLROPXMVIQVYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-6-20(13(4)11-21-5)16-15(17)7-14(10-19-16)9-18-8-12(2)3/h7,10,12-13,18H,6,8-9,11H2,1-5H3.
What are the key properties of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 313.87 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-5-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62283539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).