ethane;N'-methyl-N'-pyridin-2-ylmethanediamine

C9H17N3 — CID 91614077

IUPACethane;N'-methyl-N'-pyridin-2-ylmethanediamine
SMILESCC.CN(CN)c1ccccn1
InChIInChI=1S/C7H11N3.C2H6/c1-10(6-8)7-4-2-3-5-9-7;1-2/h2-5H,6,8H2,1H3;1-2H3
InChIKeyBIMJKYGYPKKRSZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.46
Rot. Bonds2

About ethane;N'-methyl-N'-pyridin-2-ylmethanediamine

ethane;N'-methyl-N'-pyridin-2-ylmethanediamine (PubChem CID 91614077) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is ethane;N'-methyl-N'-pyridin-2-ylmethanediamine.

Molecular Properties

Compound Nameethane;N'-methyl-N'-pyridin-2-ylmethanediamine
PubChem CID91614077
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Nameethane;N'-methyl-N'-pyridin-2-ylmethanediamine
SMILESCC.CN(CN)c1ccccn1
InChIInChI=1S/C7H11N3.C2H6/c1-10(6-8)7-4-2-3-5-9-7;1-2/h2-5H,6,8H2,1H3;1-2H3
InChIKeyBIMJKYGYPKKRSZ-UHFFFAOYSA-N
XLogP1.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridin-2-amine
CID 60921940
2-ethyl-N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 115251395
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
N-(ditert-butylphosphanylmethyl)-N-methylpyridin-2-amine
CID 101447690
methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
CID 115253091
N,N-dimethylpyridin-2-amine;molecular hydrogen
CID 143283394

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N'-pyridin-2-ylmethanediamine?
The IUPAC name of ethane;N'-methyl-N'-pyridin-2-ylmethanediamine (CID 91614077) is ethane;N'-methyl-N'-pyridin-2-ylmethanediamine.
What is the SMILES notation for ethane;N'-methyl-N'-pyridin-2-ylmethanediamine?
The canonical SMILES for ethane;N'-methyl-N'-pyridin-2-ylmethanediamine is CC.CN(CN)c1ccccn1.
What is the InChIKey of ethane;N'-methyl-N'-pyridin-2-ylmethanediamine?
The InChIKey is BIMJKYGYPKKRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.C2H6/c1-10(6-8)7-4-2-3-5-9-7;1-2/h2-5H,6,8H2,1H3;1-2H3.
What are the key properties of ethane;N'-methyl-N'-pyridin-2-ylmethanediamine?
ethane;N'-methyl-N'-pyridin-2-ylmethanediamine has a molecular weight of 167.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N'-pyridin-2-ylmethanediamine is sourced from PubChem (CID 91614077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).