N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine

C14H25NO — CID 115890854

IUPACN-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine
SMILESCOC1(C)CC(NC2CC=CCC2)C1(C)C
InChIInChI=1S/C14H25NO/c1-13(2)12(10-14(13,3)16-4)15-11-8-6-5-7-9-11/h5-6,11-12,15H,7-10H2,1-4H3
InChIKeyBAKBXRDAVXZHAE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds3

About N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine

N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine (PubChem CID 115890854) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine
PubChem CID115890854
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine
SMILESCOC1(C)CC(NC2CC=CCC2)C1(C)C
InChIInChI=1S/C14H25NO/c1-13(2)12(10-14(13,3)16-4)15-11-8-6-5-7-9-11/h5-6,11-12,15H,7-10H2,1-4H3
InChIKeyBAKBXRDAVXZHAE-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine?
The IUPAC name of N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine (CID 115890854) is N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine?
The canonical SMILES for N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine is COC1(C)CC(NC2CC=CCC2)C1(C)C.
What is the InChIKey of N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine?
The InChIKey is BAKBXRDAVXZHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2)12(10-14(13,3)16-4)15-11-8-6-5-7-9-11/h5-6,11-12,15H,7-10H2,1-4H3.
What are the key properties of N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine?
N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,2,3-trimethylcyclobutyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 115890854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).