4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine

C12H23NO — CID 62570971

IUPAC4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine
SMILESC=CCOCCNC1CCC(C)CC1
InChIInChI=1S/C12H23NO/c1-3-9-14-10-8-13-12-6-4-11(2)5-7-12/h3,11-13H,1,4-10H2,2H3
InChIKeyZPAFJEZBKFFCEI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds6

About 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine

4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine (PubChem CID 62570971) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine
PubChem CID62570971
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine
SMILESC=CCOCCNC1CCC(C)CC1
InChIInChI=1S/C12H23NO/c1-3-9-14-10-8-13-12-6-4-11(2)5-7-12/h3,11-13H,1,4-10H2,2H3
InChIKeyZPAFJEZBKFFCEI-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine (CID 62570971) is 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine is C=CCOCCNC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine?
The InChIKey is ZPAFJEZBKFFCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9-14-10-8-13-12-6-4-11(2)5-7-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine?
4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-prop-2-enoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 62570971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).