1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide

C16H28N2O — CID 64552555

IUPAC1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCC2CC3CCC2C3)C1
InChIInChI=1S/C16H28N2O/c1-11-3-2-6-16(17,9-11)15(19)18-10-14-8-12-4-5-13(14)7-12/h11-14H,2-10,17H2,1H3,(H,18,19)
InChIKeyYDRBCJSUGSYYOG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.45
Rot. Bonds3

About 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64552555) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64552555
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCC2CC3CCC2C3)C1
InChIInChI=1S/C16H28N2O/c1-11-3-2-6-16(17,9-11)15(19)18-10-14-8-12-4-5-13(14)7-12/h11-14H,2-10,17H2,1H3,(H,18,19)
InChIKeyYDRBCJSUGSYYOG-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

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Related Compounds

1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide
CID 80599268
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptane-1-carboxamide
CID 63684148
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
CID 62527897
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64548994
1-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552943
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide (CID 64552555) is 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCC2CC3CCC2C3)C1.
What is the InChIKey of 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is YDRBCJSUGSYYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-3-2-6-16(17,9-11)15(19)18-10-14-8-12-4-5-13(14)7-12/h11-14H,2-10,17H2,1H3,(H,18,19).
What are the key properties of 1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-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-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64552555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).