N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide

C15H27NO — CID 6468770

IUPACN-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H27NO/c1-10-9-11(10)14(17)16-13-8-6-5-7-12(13)15(2,3)4/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeySWJCUHSGJNXCLQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.36
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide

N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 6468770) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide
PubChem CID6468770
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NC1CCCCC1C(C)(C)C
InChIInChI=1S/C15H27NO/c1-10-9-11(10)14(17)16-13-8-6-5-7-12(13)15(2,3)4/h10-13H,5-9H2,1-4H3,(H,16,17)
InChIKeySWJCUHSGJNXCLQ-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide (CID 6468770) is N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NC1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is SWJCUHSGJNXCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-9-11(10)14(17)16-13-8-6-5-7-12(13)15(2,3)4/h10-13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide?
N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 237.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 6468770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).