3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine

C11H17N3O — CID 104532738

IUPAC3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCC2CCCO2)c1
InChIInChI=1S/C11H17N3O/c1-12-9-5-10(7-13-6-9)14-8-11-3-2-4-15-11/h5-7,11-12,14H,2-4,8H2,1H3
InChIKeyIEORTOMMZZPGSD-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.71
Rot. Bonds4

About 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine

3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine (PubChem CID 104532738) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine
PubChem CID104532738
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCC2CCCO2)c1
InChIInChI=1S/C11H17N3O/c1-12-9-5-10(7-13-6-9)14-8-11-3-2-4-15-11/h5-7,11-12,14H,2-4,8H2,1H3
InChIKeyIEORTOMMZZPGSD-UHFFFAOYSA-N
XLogP1.71
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-5-N-[2-(oxolan-2-yl)ethyl]pyridine-3,5-diamine
CID 104533904
N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
CID 109228985
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229072
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
CID 104533314
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
2-cyclopropyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80967552
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109228952
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229049
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine (CID 104532738) is 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine is CNc1cncc(NCC2CCCO2)c1.
What is the InChIKey of 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine?
The InChIKey is IEORTOMMZZPGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-12-9-5-10(7-13-6-9)14-8-11-3-2-4-15-11/h5-7,11-12,14H,2-4,8H2,1H3.
What are the key properties of 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine?
3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine has a molecular weight of 207.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104532738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).