N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine

C16H27N3O — CID 81246152

IUPACN-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCOCCN(c1cc(C)ncc1CNC(C)C)C1CC1
InChIInChI=1S/C16H27N3O/c1-12(2)17-10-14-11-18-13(3)9-16(14)19(7-8-20-4)15-5-6-15/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyAITVPWOHHWSKHB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.50
Rot. Bonds8

About N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine

N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81246152) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81246152
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCOCCN(c1cc(C)ncc1CNC(C)C)C1CC1
InChIInChI=1S/C16H27N3O/c1-12(2)17-10-14-11-18-13(3)9-16(14)19(7-8-20-4)15-5-6-15/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyAITVPWOHHWSKHB-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)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81246152) is N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine is COCCN(c1cc(C)ncc1CNC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is AITVPWOHHWSKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)17-10-14-11-18-13(3)9-16(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)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-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)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81246152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).