4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine

C11H19N3 — CID 115205190

IUPAC4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine
SMILESCC(C)(N)CCCNc1ccncc1
InChIInChI=1S/C11H19N3/c1-11(2,12)6-3-7-14-10-4-8-13-9-5-10/h4-5,8-9H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyFHPMJYXPDOACEW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.01
Rot. Bonds5

About 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine

4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine (PubChem CID 115205190) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine
PubChem CID115205190
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine
SMILESCC(C)(N)CCCNc1ccncc1
InChIInChI=1S/C11H19N3/c1-11(2,12)6-3-7-14-10-4-8-13-9-5-10/h4-5,8-9H,3,6-7,12H2,1-2H3,(H,13,14)
InChIKeyFHPMJYXPDOACEW-UHFFFAOYSA-N
XLogP2.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.01
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-(15,15-dimethylhexadecyl)pyridin-4-amine
CID 173437597
N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
1-N-pyridin-4-ylpentane-1,4-diamine
CID 106127738
N-(4-chlorobutyl)pyridin-4-amine
CID 106845129
1-N-(4-fluoro-3-methylphenyl)-4-methylpentane-1,4-diamine
CID 115205113
3-(pyridin-4-ylamino)propyl hypoiodite
CID 143003434
3-methyl-1-N-(2-methyl-2-pyridin-4-ylpropyl)butane-1,3-diamine
CID 115200944
1-N-(5-chloro-2-fluorophenyl)-4-methylpentane-1,4-diamine
CID 115205164
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
CID 62662678
4-(pyridin-4-ylamino)butan-2-one
CID 89125446
N-(3-methyl-3-piperazin-1-ylbutyl)pyridin-4-amine
CID 115255549

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine?
The IUPAC name of 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine (CID 115205190) is 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine.
What is the SMILES notation for 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine?
The canonical SMILES for 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine is CC(C)(N)CCCNc1ccncc1.
What is the InChIKey of 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine?
The InChIKey is FHPMJYXPDOACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,12)6-3-7-14-10-4-8-13-9-5-10/h4-5,8-9H,3,6-7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine?
4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine has a molecular weight of 193.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-pyridin-4-ylpentane-1,4-diamine is sourced from PubChem (CID 115205190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).