1-(1-methoxycyclobutyl)hex-5-en-2-amine

C11H21NO — CID 103559408

IUPAC1-(1-methoxycyclobutyl)hex-5-en-2-amine
SMILESC=CCCC(N)CC1(OC)CCC1
InChIInChI=1S/C11H21NO/c1-3-4-6-10(12)9-11(13-2)7-5-8-11/h3,10H,1,4-9,12H2,2H3
InChIKeyLWBKXLONGPLLKQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds6

About 1-(1-methoxycyclobutyl)hex-5-en-2-amine

1-(1-methoxycyclobutyl)hex-5-en-2-amine (PubChem CID 103559408) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)hex-5-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)hex-5-en-2-amine
PubChem CID103559408
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(1-methoxycyclobutyl)hex-5-en-2-amine
SMILESC=CCCC(N)CC1(OC)CCC1
InChIInChI=1S/C11H21NO/c1-3-4-6-10(12)9-11(13-2)7-5-8-11/h3,10H,1,4-9,12H2,2H3
InChIKeyLWBKXLONGPLLKQ-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Tert-butoxy)-2-(prop-2-en-1-yl)cyclobutan-1-amine
CID 137942225
rac-(1R,2S,3R)-3-(tert-butoxy)-2-(prop-2-en-1-yl)cyclobutan-1-amine hydrochloride
CID 137964245
2-Methoxy-2-methyloct-7-en-3-amine
CID 79197658
6-Methoxy-6-methylhept-1-en-4-amine
CID 103024962
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271
2-Methoxy-2-methylnon-8-en-4-amine
CID 103027272
N-ethyl-2-methoxy-2-methylnon-8-en-4-amine
CID 103027273
2-methoxy-2-methyl-N-propylnon-8-en-4-amine
CID 103027274
2-Methoxy-2-methyloct-7-en-4-amine
CID 103027276
6-Methoxy-2,6-dimethylhept-1-en-4-amine
CID 103028492
2-Methoxy-2-methyl-6-methylideneoctan-4-amine
CID 103028504
2-Methoxy-2,7-dimethyloct-7-en-4-amine
CID 103029363

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)hex-5-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)hex-5-en-2-amine (CID 103559408) is 1-(1-methoxycyclobutyl)hex-5-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)hex-5-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)hex-5-en-2-amine is C=CCCC(N)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)hex-5-en-2-amine?
The InChIKey is LWBKXLONGPLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-6-10(12)9-11(13-2)7-5-8-11/h3,10H,1,4-9,12H2,2H3.
What are the key properties of 1-(1-methoxycyclobutyl)hex-5-en-2-amine?
1-(1-methoxycyclobutyl)hex-5-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)hex-5-en-2-amine is sourced from PubChem (CID 103559408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).