N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine

C13H23N5 — CID 135011140

IUPACN'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine
SMILESCc1cccc(/C=N/CCN(CCN)CCN)n1
InChIInChI=1S/C13H23N5/c1-12-3-2-4-13(17-12)11-16-7-10-18(8-5-14)9-6-15/h2-4,11H,5-10,14-15H2,1H3/b16-11+
InChIKeyUIBUCWFILLEWAC-LFIBNONCSA-N
MW249.36 g/mol
LogP0.03
Rot. Bonds8

About N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine

N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine (PubChem CID 135011140) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine
PubChem CID135011140
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine
SMILESCc1cccc(/C=N/CCN(CCN)CCN)n1
InChIInChI=1S/C13H23N5/c1-12-3-2-4-13(17-12)11-16-7-10-18(8-5-14)9-6-15/h2-4,11H,5-10,14-15H2,1H3/b16-11+
InChIKeyUIBUCWFILLEWAC-LFIBNONCSA-N
XLogP0.03
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethane-1,2-diamine
CID 135011278
2-[(6-methyl-2-pyridinyl)methylideneamino]ethanol
CID 102086230
[6-[2-[bis[2-[[6-(hydroxymethyl)-2-pyridinyl]methylideneamino]ethyl]amino]ethyliminomethyl]-2-pyridinyl]methanol;iron(2+);dibromide
CID 139164096
N-benzyl-1-(6-methyl-2-pyridinyl)methanimine
CID 71333948
1-(6-methyl-2-pyridinyl)-N-[2-[4-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]methanimine
CID 102590474
2-[2-[bis(2-aminoethyl)amino]ethyliminomethyl]phenol
CID 135459839
cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
CID 139071417
3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea
CID 3005700
N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 107494419
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
1-(6-methyl-2-pyridinyl)-N-[2-[2-[2-[(6-methyl-2-pyridinyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 139079886
2-(3-bromoprop-1-enyl)-6-methylpyridine
CID 169475003

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine (CID 135011140) is N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine is Cc1cccc(/C=N/CCN(CCN)CCN)n1.
What is the InChIKey of N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine?
The InChIKey is UIBUCWFILLEWAC-LFIBNONCSA-N. The full InChI is InChI=1S/C13H23N5/c1-12-3-2-4-13(17-12)11-16-7-10-18(8-5-14)9-6-15/h2-4,11H,5-10,14-15H2,1H3/b16-11+.
What are the key properties of N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine has a molecular weight of 249.36 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-[2-[(6-methyl-2-pyridinyl)methylideneamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 135011140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).