N-(2-but-2-enoxyethyl)cyclohexanamine

C12H23NO — CID 76946852

IUPACN-(2-but-2-enoxyethyl)cyclohexanamine
SMILESCC=CCOCCNC1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-3-10-14-11-9-13-12-7-5-4-6-8-12/h2-3,12-13H,4-11H2,1H3
InChIKeyIOWNIDRVQPWRBJ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About N-(2-but-2-enoxyethyl)cyclohexanamine

N-(2-but-2-enoxyethyl)cyclohexanamine (PubChem CID 76946852) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-but-2-enoxyethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(2-but-2-enoxyethyl)cyclohexanamine
PubChem CID76946852
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-but-2-enoxyethyl)cyclohexanamine
SMILESCC=CCOCCNC1CCCCC1
InChIInChI=1S/C12H23NO/c1-2-3-10-14-11-9-13-12-7-5-4-6-8-12/h2-3,12-13H,4-11H2,1H3
InChIKeyIOWNIDRVQPWRBJ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-but-2-enoxyethyl)cyclohexanamine?
The IUPAC name of N-(2-but-2-enoxyethyl)cyclohexanamine (CID 76946852) is N-(2-but-2-enoxyethyl)cyclohexanamine.
What is the SMILES notation for N-(2-but-2-enoxyethyl)cyclohexanamine?
The canonical SMILES for N-(2-but-2-enoxyethyl)cyclohexanamine is CC=CCOCCNC1CCCCC1.
What is the InChIKey of N-(2-but-2-enoxyethyl)cyclohexanamine?
The InChIKey is IOWNIDRVQPWRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-10-14-11-9-13-12-7-5-4-6-8-12/h2-3,12-13H,4-11H2,1H3.
What are the key properties of N-(2-but-2-enoxyethyl)cyclohexanamine?
N-(2-but-2-enoxyethyl)cyclohexanamine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-2-enoxyethyl)cyclohexanamine is sourced from PubChem (CID 76946852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).