ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine

C11H21N3 — CID 171623926

IUPACethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
SMILESCC.CNCNCc1ccnc(C)c1
InChIInChI=1S/C9H15N3.C2H6/c1-8-5-9(3-4-12-8)6-11-7-10-2;1-2/h3-5,10-11H,6-7H2,1-2H3;1-2H3
InChIKeyZLAJMTDRRIJEOJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.68
Rot. Bonds4

About ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine

ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine (PubChem CID 171623926) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine.

Molecular Properties

Compound Nameethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
PubChem CID171623926
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Nameethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
SMILESCC.CNCNCc1ccnc(C)c1
InChIInChI=1S/C9H15N3.C2H6/c1-8-5-9(3-4-12-8)6-11-7-10-2;1-2/h3-5,10-11H,6-7H2,1-2H3;1-2H3
InChIKeyZLAJMTDRRIJEOJ-UHFFFAOYSA-N
XLogP1.68
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106752860
ethane;4-ethyl-2-methylpyridine
CID 91358383
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106752892
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
4-(chloromethyl)-2-methylpyridine
CID 12675262
2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride
CID 175925815
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
CID 106752869
(2-methyl-4-pyridinyl)methanamine;hydrobromide
CID 133056963
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
2-methyl-4-propylpyridine
CID 3358679

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine?
The IUPAC name of ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine (CID 171623926) is ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine.
What is the SMILES notation for ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine?
The canonical SMILES for ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine is CC.CNCNCc1ccnc(C)c1.
What is the InChIKey of ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine?
The InChIKey is ZLAJMTDRRIJEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C2H6/c1-8-5-9(3-4-12-8)6-11-7-10-2;1-2/h3-5,10-11H,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine?
ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine has a molecular weight of 195.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine is sourced from PubChem (CID 171623926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).