N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine

C13H23N3 — CID 91082379

IUPACN'-(1-pyridin-2-ylbutyl)butane-1,4-diamine
SMILESCCCC(NCCCCN)c1ccccn1
InChIInChI=1S/C13H23N3/c1-2-7-12(15-11-6-4-9-14)13-8-3-5-10-16-13/h3,5,8,10,12,15H,2,4,6-7,9,11,14H2,1H3
InChIKeyZIOJEYQFFAKETM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.25
Rot. Bonds8

About N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine

N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine (PubChem CID 91082379) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-pyridin-2-ylbutyl)butane-1,4-diamine
PubChem CID91082379
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-(1-pyridin-2-ylbutyl)butane-1,4-diamine
SMILESCCCC(NCCCCN)c1ccccn1
InChIInChI=1S/C13H23N3/c1-2-7-12(15-11-6-4-9-14)13-8-3-5-10-16-13/h3,5,8,10,12,15H,2,4,6-7,9,11,14H2,1H3
InChIKeyZIOJEYQFFAKETM-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.25
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-(3-methoxypropyl)-1-pyridin-2-ylbutan-1-amine
CID 115872086
3-methyl-N-(1-pyridin-2-ylbutyl)butan-1-amine
CID 115872088
(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine
CID 115890101
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
N-(dipyridin-2-ylmethyl)pentan-1-amine
CID 123815817
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
N-propyl-1-pyridin-2-yloct-7-en-1-amine
CID 107008851
1-pyridin-2-yloctylhydrazine
CID 105195796
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
N-ethyl-5-methyl-1-pyridin-2-ylhexan-1-amine
CID 83161018
(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
CID 103878434

Frequently Asked Questions

What is the IUPAC name of N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine?
The IUPAC name of N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine (CID 91082379) is N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine.
What is the SMILES notation for N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine?
The canonical SMILES for N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine is CCCC(NCCCCN)c1ccccn1.
What is the InChIKey of N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine?
The InChIKey is ZIOJEYQFFAKETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-7-12(15-11-6-4-9-14)13-8-3-5-10-16-13/h3,5,8,10,12,15H,2,4,6-7,9,11,14H2,1H3.
What are the key properties of N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine?
N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-pyridin-2-ylbutyl)butane-1,4-diamine is sourced from PubChem (CID 91082379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).