1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide

C16H28N2O — CID 115447542

IUPAC1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)C1(CN)CCC1)C2
InChIInChI=1S/C16H28N2O/c1-14(2)11-5-8-15(14,3)12(9-11)18-13(19)16(10-17)6-4-7-16/h11-12H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyAAISOBXTAQODEJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.45
Rot. Bonds3

About 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide (PubChem CID 115447542) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide
PubChem CID115447542
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)C1(CN)CCC1)C2
InChIInChI=1S/C16H28N2O/c1-14(2)11-5-8-15(14,3)12(9-11)18-13(19)16(10-17)6-4-7-16/h11-12H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyAAISOBXTAQODEJ-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide with MolForge

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Related Compounds

2-amino-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 119264698
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80598318
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
N-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2795155
2-hydroxyethyl N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)carbamate
CID 79345179
1-(2-fluoroethyl)-3-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124541692
4-oxo-4-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoic acid
CID 906419
3-(propan-2-ylamino)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 60853984
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
CID 3824523
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 80598202
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
dimethyl-[3-oxo-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propyl]azanium
CID 7376088

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide (CID 115447542) is 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)C1(CN)CCC1)C2.
What is the InChIKey of 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide?
The InChIKey is AAISOBXTAQODEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)11-5-8-15(14,3)12(9-11)18-13(19)16(10-17)6-4-7-16/h11-12H,4-10,17H2,1-3H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115447542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).