ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine

C13H25N3 — CID 145198308

IUPACethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
SMILESCC.Cc1ccc(CNCCCCN)cn1
InChIInChI=1S/C11H19N3.C2H6/c1-10-4-5-11(9-14-10)8-13-7-3-2-6-12;1-2/h4-5,9,13H,2-3,6-8,12H2,1H3;1-2H3
InChIKeyQJMJTKSVGNWPNF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.24
Rot. Bonds6

About ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine

ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine (PubChem CID 145198308) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound Nameethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
PubChem CID145198308
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
SMILESCC.Cc1ccc(CNCCCCN)cn1
InChIInChI=1S/C11H19N3.C2H6/c1-10-4-5-11(9-14-10)8-13-7-3-2-6-12;1-2/h4-5,9,13H,2-3,6-8,12H2,1H3;1-2H3
InChIKeyQJMJTKSVGNWPNF-UHFFFAOYSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methyl-3-pyridinyl)methyl]heptan-1-amine
CID 62996508
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
5-[(6-methyl-3-pyridinyl)methylamino]pentanenitrile
CID 62996744
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62996029
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
N-ethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
CID 64503028
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79739974

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine?
The IUPAC name of ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine (CID 145198308) is ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine.
What is the SMILES notation for ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine?
The canonical SMILES for ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine is CC.Cc1ccc(CNCCCCN)cn1.
What is the InChIKey of ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine?
The InChIKey is QJMJTKSVGNWPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-10-4-5-11(9-14-10)8-13-7-3-2-6-12;1-2/h4-5,9,13H,2-3,6-8,12H2,1H3;1-2H3.
What are the key properties of ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine?
ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine has a molecular weight of 223.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 145198308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).