1-N'-pyridin-2-ylbutane-1,1-diamine

C9H15N3 — CID 22118535

IUPAC1-N'-pyridin-2-ylbutane-1,1-diamine
SMILESCCCC(N)Nc1ccccn1
InChIInChI=1S/C9H15N3/c1-2-5-8(10)12-9-6-3-4-7-11-9/h3-4,6-8H,2,5,10H2,1H3,(H,11,12)
InChIKeyJEFDZRAWSQKIAL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.58
Rot. Bonds4

About 1-N'-pyridin-2-ylbutane-1,1-diamine

1-N'-pyridin-2-ylbutane-1,1-diamine (PubChem CID 22118535) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-N'-pyridin-2-ylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N'-pyridin-2-ylbutane-1,1-diamine
PubChem CID22118535
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-N'-pyridin-2-ylbutane-1,1-diamine
SMILESCCCC(N)Nc1ccccn1
InChIInChI=1S/C9H15N3/c1-2-5-8(10)12-9-6-3-4-7-11-9/h3-4,6-8H,2,5,10H2,1H3,(H,11,12)
InChIKeyJEFDZRAWSQKIAL-UHFFFAOYSA-N
XLogP1.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-tridecan-6-ylpyridin-2-amine
CID 170412016
tert-butyl 5-amino-5-(pyridin-2-ylamino)pentanoate
CID 174448604
3-(pyridin-2-ylamino)hexanoic acid
CID 121217127
N-(1-chloro-4-methylpentan-3-yl)pyridin-2-amine
CID 106354276
diethyl 2-(pyridin-2-ylamino)butanedioate
CID 177223404
1-(pyridin-2-ylamino)ethanol
CID 20521375
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
N-ethylpropan-2-amine;methane;N-propan-2-ylpyridin-2-amine
CID 158791390
N-(6-methylheptan-2-yl)pyridin-2-amine
CID 61472531
N-[bis(phosphanyl)methyl]pyridin-2-amine
CID 118465849
N-pyridin-2-ylhexane-3-sulfonamide
CID 170423555
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889

Frequently Asked Questions

What is the IUPAC name of 1-N'-pyridin-2-ylbutane-1,1-diamine?
The IUPAC name of 1-N'-pyridin-2-ylbutane-1,1-diamine (CID 22118535) is 1-N'-pyridin-2-ylbutane-1,1-diamine.
What is the SMILES notation for 1-N'-pyridin-2-ylbutane-1,1-diamine?
The canonical SMILES for 1-N'-pyridin-2-ylbutane-1,1-diamine is CCCC(N)Nc1ccccn1.
What is the InChIKey of 1-N'-pyridin-2-ylbutane-1,1-diamine?
The InChIKey is JEFDZRAWSQKIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-5-8(10)12-9-6-3-4-7-11-9/h3-4,6-8H,2,5,10H2,1H3,(H,11,12).
What are the key properties of 1-N'-pyridin-2-ylbutane-1,1-diamine?
1-N'-pyridin-2-ylbutane-1,1-diamine has a molecular weight of 165.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-pyridin-2-ylbutane-1,1-diamine is sourced from PubChem (CID 22118535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).