N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide

C14H24BN3 — CID 165347647

IUPACN'-dibutylboranyl-N-pyridin-2-ylmethanimidamide
SMILESCCCCB(CCCC)N=CNc1ccccn1
InChIInChI=1S/C14H24BN3/c1-3-5-10-15(11-6-4-2)18-13-17-14-9-7-8-12-16-14/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,16,17,18)
InChIKeyIBVVBRXOOKSUCF-UHFFFAOYSA-N
MW245.18 g/mol
LogP4.11
Rot. Bonds9

About N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide

N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide (PubChem CID 165347647) has the molecular formula C14H24BN3 and a molecular weight of 245.18 g/mol. Its IUPAC name is N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-dibutylboranyl-N-pyridin-2-ylmethanimidamide
PubChem CID165347647
Molecular FormulaC14H24BN3
Molecular Weight245.18 g/mol
Exact Mass245.21
IUPAC NameN'-dibutylboranyl-N-pyridin-2-ylmethanimidamide
SMILESCCCCB(CCCC)N=CNc1ccccn1
InChIInChI=1S/C14H24BN3/c1-3-5-10-15(11-6-4-2)18-13-17-14-9-7-8-12-16-14/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,16,17,18)
InChIKeyIBVVBRXOOKSUCF-UHFFFAOYSA-N
XLogP4.11
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-butylpyridin-2-amine
CID 14322668
N-[(E)-but-1-enyl]pyridin-2-amine
CID 69443229
N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329310
N-propylpyridin-2-amine
CID 91192651
N-tridecan-6-ylpyridin-2-amine
CID 170412016
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
N-[(E)-(3-butoxyphenyl)methylideneamino]pyridin-2-amine
CID 110505669
N'-propyl-N-pyridin-2-ylethanimidamide
CID 130007747
2,2-diethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 106251431
N-[1-chloro-2-(chloromethyl)butan-2-yl]pyridin-2-amine
CID 107867262
cyclopropane;N-pyridin-2-ylformamide
CID 170968327

Frequently Asked Questions

What is the IUPAC name of N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide?
The IUPAC name of N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide (CID 165347647) is N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide.
What is the SMILES notation for N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide?
The canonical SMILES for N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide is CCCCB(CCCC)N=CNc1ccccn1.
What is the InChIKey of N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide?
The InChIKey is IBVVBRXOOKSUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BN3/c1-3-5-10-15(11-6-4-2)18-13-17-14-9-7-8-12-16-14/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,16,17,18).
What are the key properties of N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide?
N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide has a molecular weight of 245.18 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dibutylboranyl-N-pyridin-2-ylmethanimidamide is sourced from PubChem (CID 165347647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).