N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine

C16H27N3O — CID 82740348

IUPACN-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(C)c1ccc(N(C)C2CCOC2C)nc1
InChIInChI=1S/C16H27N3O/c1-5-9-17-12(2)14-6-7-16(18-11-14)19(4)15-8-10-20-13(15)3/h6-7,11-13,15,17H,5,8-10H2,1-4H3
InChIKeyIVXWMMTUOJFDJJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds6

About N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine

N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine (PubChem CID 82740348) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine
PubChem CID82740348
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(C)c1ccc(N(C)C2CCOC2C)nc1
InChIInChI=1S/C16H27N3O/c1-5-9-17-12(2)14-6-7-16(18-11-14)19(4)15-8-10-20-13(15)3/h6-7,11-13,15,17H,5,8-10H2,1-4H3
InChIKeyIVXWMMTUOJFDJJ-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

1-[6-[methyl-(2-methyloxolan-3-yl)amino]-3-pyridinyl]ethanol
CID 82742695
N,2-dimethyl-N-[2-[1-(propylamino)ethyl]phenyl]oxolan-3-amine
CID 82739333
N-methyl-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)pyrazin-2-amine
CID 107380700
1-N-methyl-1-N-(2-methyloxolan-3-yl)-3-N-propylbutane-1,3-diamine
CID 82735550
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
N,6-dimethyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 82754773
4-N,5-dimethyl-4-N-(2-methyloxolan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 82745995
N,2-dimethyl-N-[4-(propylaminomethyl)phenyl]oxolan-3-amine
CID 82741920
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754018
N-[1-[3-bromo-4-(2-methyloxolan-3-yl)sulfanylphenyl]ethyl]propan-1-amine
CID 107750535
N-methyl-N-(2-methyloxolan-3-yl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 82754507
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine (CID 82740348) is N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine is CCCNC(C)c1ccc(N(C)C2CCOC2C)nc1.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is IVXWMMTUOJFDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-9-17-12(2)14-6-7-16(18-11-14)19(4)15-8-10-20-13(15)3/h6-7,11-13,15,17H,5,8-10H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine?
N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-5-[1-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 82740348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).