N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine

C11H19N3 — CID 107323471

IUPACN'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
SMILESCc1ccnc(NCCCCCN)c1
InChIInChI=1S/C11H19N3/c1-10-5-8-14-11(9-10)13-7-4-2-3-6-12/h5,8-9H,2-4,6-7,12H2,1H3,(H,13,14)
InChIKeyOPAMIPCUNLNPJT-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.93
Rot. Bonds6

About N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine

N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine (PubChem CID 107323471) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
PubChem CID107323471
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-(4-methyl-2-pyridinyl)pentane-1,5-diamine
SMILESCc1ccnc(NCCCCCN)c1
InChIInChI=1S/C11H19N3/c1-10-5-8-14-11(9-10)13-7-4-2-3-6-12/h5,8-9H,2-4,6-7,12H2,1H3,(H,13,14)
InChIKeyOPAMIPCUNLNPJT-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
triethyl-[5-[(4-methyl-2-pyridinyl)amino]pentyl]azanium iodide
CID 160709638
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
N',N'-diethyl-N-(4-methyl-2-pyridinyl)butane-1,4-diamine
CID 22093246
methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
CID 162756210
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
4-methyl-N-(3-propoxypropyl)pyridin-2-amine
CID 82943413
N'-pyrazin-2-ylhexane-1,6-diamine
CID 107845150
N'-[4-[6-amino-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
CID 56949222
N-[3-(cyclopropylmethoxy)propyl]-4-methylpyridin-2-amine
CID 103761404
N-(4-methyl-2-pyridinyl)-N'-pentan-2-ylethane-1,2-diamine
CID 142941016

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine?
The IUPAC name of N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine (CID 107323471) is N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine is Cc1ccnc(NCCCCCN)c1.
What is the InChIKey of N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine?
The InChIKey is OPAMIPCUNLNPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10-5-8-14-11(9-10)13-7-4-2-3-6-12/h5,8-9H,2-4,6-7,12H2,1H3,(H,13,14).
What are the key properties of N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine?
N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-2-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 107323471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).