N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine

C13H25NO — CID 104582941

IUPACN-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESC=CCCC(C)NC1CC(OC)C1(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-10(2)14-11-9-12(15-5)13(11,3)4/h6,10-12,14H,1,7-9H2,2-5H3
InChIKeyHTFAQBNTKVFEPT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.74
Rot. Bonds6

About N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine

N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 104582941) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID104582941
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESC=CCCC(C)NC1CC(OC)C1(C)C
InChIInChI=1S/C13H25NO/c1-6-7-8-10(2)14-11-9-12(15-5)13(11,3)4/h6,10-12,14H,1,7-9H2,2-5H3
InChIKeyHTFAQBNTKVFEPT-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine with MolForge

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Related Compounds

3-methoxy-N-pent-4-en-2-ylcyclobutan-1-amine
CID 104871504
3-methoxy-N-[(2S)-pent-4-en-2-yl]cyclobutan-1-amine
CID 166665153
2,2-dimethyl-3-(2-methylpropoxy)-N-prop-2-enylcyclobutan-1-amine
CID 64850375
3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutan-1-amine
CID 64851306
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64851356
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852160
N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64852288
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169708
3-ethoxy-2-ethyl-2-methyl-N-prop-2-enylcyclobutan-1-amine
CID 65170750
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]cyclohex-3-en-1-amine
CID 65702059
N-(3-ethoxy-2,2-dimethylcyclobutyl)cyclohex-3-en-1-amine
CID 65702479
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)cyclohex-3-en-1-amine
CID 65702504

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine (CID 104582941) is N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine is C=CCCC(C)NC1CC(OC)C1(C)C.
What is the InChIKey of N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is HTFAQBNTKVFEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-6-7-8-10(2)14-11-9-12(15-5)13(11,3)4/h6,10-12,14H,1,7-9H2,2-5H3.
What are the key properties of N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine?
N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-3-methoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 104582941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).