3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide

C16H30N2O — CID 119820248

IUPAC3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CC(C)(C)CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C16H30N2O/c1-10(2)8-16(3,4)9-18-15(19)13-11-5-6-12(7-11)14(13)17/h10-14H,5-9,17H2,1-4H3,(H,18,19)
InChIKeyZJWPEXPMHXWDBP-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119820248) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119820248
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)CC(C)(C)CNC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C16H30N2O/c1-10(2)8-16(3,4)9-18-15(19)13-11-5-6-12(7-11)14(13)17/h10-14H,5-9,17H2,1-4H3,(H,18,19)
InChIKeyZJWPEXPMHXWDBP-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103809511
3-amino-N-(2-hydroxy-2-methylpentyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 106292057
3-amino-N-(2-cyclopropylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 113266414
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119692045
3-amino-N-[(1-propan-2-ylcyclopropyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113267120
3-amino-N-(2-methyl-2-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830190
3-amino-N-(1-cyclopropylpropan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119784586
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704
methyl (2R)-2-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]propanoate
CID 119781274
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119820248) is 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide is CC(C)CC(C)(C)CNC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZJWPEXPMHXWDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-10(2)8-16(3,4)9-18-15(19)13-11-5-6-12(7-11)14(13)17/h10-14H,5-9,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2,4-trimethylpentyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119820248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).