N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

C16H27N3O — CID 80630602

IUPACN-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(c1ncc(CNC(C)C)cc1C)C1CC1
InChIInChI=1S/C16H27N3O/c1-12(2)17-10-14-9-13(3)16(18-11-14)19(7-8-20-4)15-5-6-15/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyQNEIFNPVNZMDGG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.50
Rot. Bonds8

About N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine

N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 80630602) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID80630602
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCOCCN(c1ncc(CNC(C)C)cc1C)C1CC1
InChIInChI=1S/C16H27N3O/c1-12(2)17-10-14-9-13(3)16(18-11-14)19(7-8-20-4)15-5-6-15/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyQNEIFNPVNZMDGG-UHFFFAOYSA-N
XLogP2.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 80630602) is N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is COCCN(c1ncc(CNC(C)C)cc1C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is QNEIFNPVNZMDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)17-10-14-9-13(3)16(18-11-14)19(7-8-20-4)15-5-6-15/h9,11-12,15,17H,5-8,10H2,1-4H3.
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methoxyethyl)-3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80630602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).