N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine

C17H29N3O — CID 115939352

IUPACN-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine
SMILESCCCNC(CC)c1ccc(N(C)CC2CCCO2)cn1
InChIInChI=1S/C17H29N3O/c1-4-10-18-16(5-2)17-9-8-14(12-19-17)20(3)13-15-7-6-11-21-15/h8-9,12,15-16,18H,4-7,10-11,13H2,1-3H3
InChIKeyAQUNLUVYUQDXFN-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.15
Rot. Bonds8

About N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine

N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine (PubChem CID 115939352) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine
PubChem CID115939352
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine
SMILESCCCNC(CC)c1ccc(N(C)CC2CCCO2)cn1
InChIInChI=1S/C17H29N3O/c1-4-10-18-16(5-2)17-9-8-14(12-19-17)20(3)13-15-7-6-11-21-15/h8-9,12,15-16,18H,4-7,10-11,13H2,1-3H3
InChIKeyAQUNLUVYUQDXFN-UHFFFAOYSA-N
XLogP3.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584248
6-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-2-ylmethyl)pyridin-3-amine
CID 83122915
(1R)-1-[5-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938475
1-[5-(oxolan-2-ylmethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939887
N-cyclopropyl-N-methyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 112584130
N-methyl-N-(oxan-2-ylmethyl)-4-[1-(propylamino)ethyl]aniline
CID 61432333
1-(5-fluoro-2-pyridinyl)-N-[2-(oxolan-2-yl)ethyl]propan-1-amine
CID 112583036
3-[methyl-[6-[1-(propylamino)propyl]-3-pyridinyl]amino]propanenitrile
CID 112584090
N-methyl-N-(3-methylbutyl)-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939346
N-cyclopropyl-N-propyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939237
N,N-dipropyl-6-[1-(propylamino)propyl]pyridin-3-amine
CID 115939175
N-(cyclopropylmethyl)-N-methyl-6-[1-(propylamino)ethyl]pyridin-3-amine
CID 83123154

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine?
The IUPAC name of N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine (CID 115939352) is N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine?
The canonical SMILES for N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine is CCCNC(CC)c1ccc(N(C)CC2CCCO2)cn1.
What is the InChIKey of N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine?
The InChIKey is AQUNLUVYUQDXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-10-18-16(5-2)17-9-8-14(12-19-17)20(3)13-15-7-6-11-21-15/h8-9,12,15-16,18H,4-7,10-11,13H2,1-3H3.
What are the key properties of N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine?
N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine has a molecular weight of 291.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-2-ylmethyl)-6-[1-(propylamino)propyl]pyridin-3-amine is sourced from PubChem (CID 115939352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).