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

C13H22N2O — CID 103829374

IUPACN-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC(CN)CNC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C13H22N2O/c1-7(5-14)6-15-13(16)12-10-8-2-3-9(4-8)11(10)12/h7-12H,2-6,14H2,1H3,(H,15,16)
InChIKeyIUOLGWWJFWYQLE-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.99
Rot. Bonds4

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

N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103829374) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103829374
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCC(CN)CNC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C13H22N2O/c1-7(5-14)6-15-13(16)12-10-8-2-3-9(4-8)11(10)12/h7-12H,2-6,14H2,1H3,(H,15,16)
InChIKeyIUOLGWWJFWYQLE-UHFFFAOYSA-N
XLogP0.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-3-methylbutyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103807170
N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761209
N-(2-amino-1-cyclopropylethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113265821
N-(3-amino-2-methylpropyl)-5-methyloxolane-3-carboxamide
CID 114823515
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
N-(3-amino-2,2-dimethyl-3-sulfanylidenepropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 114097042
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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103829374) is N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is CC(CN)CNC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is IUOLGWWJFWYQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-7(5-14)6-15-13(16)12-10-8-2-3-9(4-8)11(10)12/h7-12H,2-6,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103829374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).