N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine

C11H21N — CID 10442091

IUPACN-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine
SMILES[2H]C(CNC1CCCCC1)=C(C)C
InChIInChI=1S/C11H21N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h8,11-12H,3-7,9H2,1-2H3/i8D
InChIKeyHEWOXKHLXORTTF-BNEYPBHNSA-N
MW168.30 g/mol
LogP2.87
Rot. Bonds3

About N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine

N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine (PubChem CID 10442091) has the molecular formula C11H21N and a molecular weight of 168.30 g/mol. Its IUPAC name is N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine
PubChem CID10442091
Molecular FormulaC11H21N
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC NameN-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine
SMILES[2H]C(CNC1CCCCC1)=C(C)C
InChIInChI=1S/C11H21N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h8,11-12H,3-7,9H2,1-2H3/i8D
InChIKeyHEWOXKHLXORTTF-BNEYPBHNSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine?
The IUPAC name of N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine (CID 10442091) is N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine.
What is the SMILES notation for N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine?
The canonical SMILES for N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine is [2H]C(CNC1CCCCC1)=C(C)C.
What is the InChIKey of N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine?
The InChIKey is HEWOXKHLXORTTF-BNEYPBHNSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)8-9-12-11-6-4-3-5-7-11/h8,11-12H,3-7,9H2,1-2H3/i8D.
What are the key properties of N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine?
N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine has a molecular weight of 168.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-deuterio-3-methylbut-2-enyl)cyclohexanamine is sourced from PubChem (CID 10442091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).