N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine

C11H19N3 — CID 81313009

IUPACN'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
SMILESCc1ccc(CNCCCCN)nc1
InChIInChI=1S/C11H19N3/c1-10-4-5-11(14-8-10)9-13-7-3-2-6-12/h4-5,8,13H,2-3,6-7,9,12H2,1H3
InChIKeyWMTVAYYTJKSJIF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.22
Rot. Bonds6

About N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine

N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine (PubChem CID 81313009) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
PubChem CID81313009
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
SMILESCc1ccc(CNCCCCN)nc1
InChIInChI=1S/C11H19N3/c1-10-4-5-11(14-8-10)9-13-7-3-2-6-12/h4-5,8,13H,2-3,6-7,9,12H2,1H3
InChIKeyWMTVAYYTJKSJIF-UHFFFAOYSA-N
XLogP1.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.22
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-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 115698997
N'-[(5-ethyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79739974
N-[(5-methyl-2-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 80708453
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
CID 81311804
(5-methyl-2-pyridinyl)methanamine;N-[(5-methyl-2-pyridinyl)methyl]formamide
CID 157194749
N-[2-[(5-methyl-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 80709456
N-[(5-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 80707733
3-cyclohexyloxy-N-[(5-methyl-2-pyridinyl)methyl]propan-1-amine
CID 80707820
2-(2,4-dichlorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80707891
ethane;N'-[(6-methyl-3-pyridinyl)methyl]butane-1,4-diamine
CID 145198308

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine (CID 81313009) is N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine is Cc1ccc(CNCCCCN)nc1.
What is the InChIKey of N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine?
The InChIKey is WMTVAYYTJKSJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10-4-5-11(14-8-10)9-13-7-3-2-6-12/h4-5,8,13H,2-3,6-7,9,12H2,1H3.
What are the key properties of N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine?
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 81313009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).