N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine

C13H22F3NO — CID 114183635

IUPACN-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCCOCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-2-3-9-18-10-8-17-12-7-5-4-6-11(12)13(14,15)16/h2,11-12,17H,1,3-10H2
InChIKeyHNVPXQQMQMTZPF-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.29
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine

N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 114183635) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID114183635
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine
SMILESC=CCCOCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-2-3-9-18-10-8-17-12-7-5-4-6-11(12)13(14,15)16/h2,11-12,17H,1,3-10H2
InChIKeyHNVPXQQMQMTZPF-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.29
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-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine (CID 114183635) is N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine is C=CCCOCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HNVPXQQMQMTZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-3-9-18-10-8-17-12-7-5-4-6-11(12)13(14,15)16/h2,11-12,17H,1,3-10H2.
What are the key properties of N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine?
N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 114183635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).