N-(4-tert-butylcyclohexen-1-yl)formamide

C11H19NO — CID 57208366

IUPACN-(4-tert-butylcyclohexen-1-yl)formamide
SMILESCC(C)(C)C1CC=C(NC=O)CC1
InChIInChI=1S/C11H19NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h6,8-9H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyIVPJMHMALKIYQQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.46
Rot. Bonds2

About N-(4-tert-butylcyclohexen-1-yl)formamide

N-(4-tert-butylcyclohexen-1-yl)formamide (PubChem CID 57208366) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexen-1-yl)formamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexen-1-yl)formamide
PubChem CID57208366
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(4-tert-butylcyclohexen-1-yl)formamide
SMILESCC(C)(C)C1CC=C(NC=O)CC1
InChIInChI=1S/C11H19NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h6,8-9H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyIVPJMHMALKIYQQ-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexen-1-yl)formamide?
The IUPAC name of N-(4-tert-butylcyclohexen-1-yl)formamide (CID 57208366) is N-(4-tert-butylcyclohexen-1-yl)formamide.
What is the SMILES notation for N-(4-tert-butylcyclohexen-1-yl)formamide?
The canonical SMILES for N-(4-tert-butylcyclohexen-1-yl)formamide is CC(C)(C)C1CC=C(NC=O)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexen-1-yl)formamide?
The InChIKey is IVPJMHMALKIYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(2,3)9-4-6-10(7-5-9)12-8-13/h6,8-9H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of N-(4-tert-butylcyclohexen-1-yl)formamide?
N-(4-tert-butylcyclohexen-1-yl)formamide has a molecular weight of 181.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexen-1-yl)formamide is sourced from PubChem (CID 57208366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).