N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C14H24N2O — CID 103807170

IUPACN-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC(C)C(N)CNC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H24N2O/c1-7(2)10(15)6-16-14(17)13-11-8-3-4-9(5-8)12(11)13/h7-13H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyGJNJXRCBYHIJBS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds4

About N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103807170) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103807170
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC(C)C(N)CNC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H24N2O/c1-7(2)10(15)6-16-14(17)13-11-8-3-4-9(5-8)12(11)13/h7-13H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyGJNJXRCBYHIJBS-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103829374
N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761209
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097042
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119432515
(1S,2S,4R,5S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(1S,2S,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]ethyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 124840850
N-[(2-aminocyclopentyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103806310
3-amino-N-(3-methyl-2-morpholin-4-ylbutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119841278
3-[2-[(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)amino]propylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 4172482
(2R)-4-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)pentanoic acid
CID 103804245
3-hydroxy-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)butanoic acid
CID 113424717

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103807170) is N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is CC(C)C(N)CNC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is GJNJXRCBYHIJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-7(2)10(15)6-16-14(17)13-11-8-3-4-9(5-8)12(11)13/h7-13H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103807170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).