N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine

C16H27N3O — CID 83123007

IUPACN-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine
SMILESCCCNC(C)c1ccc(N(CCOC)C2CC2)cn1
InChIInChI=1S/C16H27N3O/c1-4-9-17-13(2)16-8-7-15(12-18-16)19(10-11-20-3)14-5-6-14/h7-8,12-14,17H,4-6,9-11H2,1-3H3
InChIKeyGMVFXMPGQPNWOV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds9

About N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine

N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine (PubChem CID 83123007) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine
PubChem CID83123007
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine
SMILESCCCNC(C)c1ccc(N(CCOC)C2CC2)cn1
InChIInChI=1S/C16H27N3O/c1-4-9-17-13(2)16-8-7-15(12-18-16)19(10-11-20-3)14-5-6-14/h7-8,12-14,17H,4-6,9-11H2,1-3H3
InChIKeyGMVFXMPGQPNWOV-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
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)-6-[1-(propylamino)ethyl]pyridin-3-amine?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine (CID 83123007) is N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine is CCCNC(C)c1ccc(N(CCOC)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine?
The InChIKey is GMVFXMPGQPNWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-17-13(2)16-8-7-15(12-18-16)19(10-11-20-3)14-5-6-14/h7-8,12-14,17H,4-6,9-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine?
N-cyclopropyl-N-(2-methoxyethyl)-6-[1-(propylamino)ethyl]pyridin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 9 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)-6-[1-(propylamino)ethyl]pyridin-3-amine is sourced from PubChem (CID 83123007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).