N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C14H19NO — CID 103761827

IUPACN-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESC#CC(C)(C)NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H19NO/c1-4-14(2,3)15-13(16)12-10-8-5-6-9(7-8)11(10)12/h1,8-12H,5-7H2,2-3H3,(H,15,16)
InChIKeyRFMDEZJGBSYSKV-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.81
Rot. Bonds2

About N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103761827) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103761827
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESC#CC(C)(C)NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H19NO/c1-4-14(2,3)15-13(16)12-10-8-5-6-9(7-8)11(10)12/h1,8-12H,5-7H2,2-3H3,(H,15,16)
InChIKeyRFMDEZJGBSYSKV-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylbut-3-yn-2-yl)adamantane-2-carboxamide
CID 78962991
N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79795775
(3R)-3-methyl-3-[[(1S,2R,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]pentanoic acid
CID 98891185
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide
CID 104919738
4-(aminomethyl)-N-(2-methylbut-3-yn-2-yl)cyclohexane-1-carboxamide
CID 79527650
2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide
CID 79384521
ditert-butyl tricyclo[4.2.1.02,5]nonane-3,4-dicarboxylate
CID 129175515
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097042
N-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103759905
methyl 2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetate
CID 112617293
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103761827) is N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide is C#CC(C)(C)NC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is RFMDEZJGBSYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-14(2,3)15-13(16)12-10-8-5-6-9(7-8)11(10)12/h1,8-12H,5-7H2,2-3H3,(H,15,16).
What are the key properties of N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 217.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103761827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).