1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine

C10H19NO — CID 103559518

IUPAC1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine
SMILESC=CC(CC1(OC)CCC1)NC
InChIInChI=1S/C10H19NO/c1-4-9(11-2)8-10(12-3)6-5-7-10/h4,9,11H,1,5-8H2,2-3H3
InChIKeyIPCBRFPGHQZFIO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine

1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine (PubChem CID 103559518) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine
PubChem CID103559518
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine
SMILESC=CC(CC1(OC)CCC1)NC
InChIInChI=1S/C10H19NO/c1-4-9(11-2)8-10(12-3)6-5-7-10/h4,9,11H,1,5-8H2,2-3H3
InChIKeyIPCBRFPGHQZFIO-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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

6-methoxy-N,6-dimethylhept-1-en-4-amine
CID 103024963
N-ethyl-6-methoxy-6-methylhept-1-en-4-amine
CID 103024964
6-methoxy-6-methyl-N-propylhept-1-en-4-amine
CID 103024965
2-methoxy-N,2-dimethylnon-8-en-4-amine
CID 103027271
2-methoxy-N,2-dimethyloct-7-en-4-amine
CID 103027275
N-ethyl-2-methoxy-2-methyloct-7-en-4-amine
CID 103027277
2-methoxy-2-methyl-N-propyloct-7-en-4-amine
CID 103027278
5-methoxy-N,5-dimethylhex-1-en-3-amine
CID 103028036
N-ethyl-5-methoxy-5-methylhex-1-en-3-amine
CID 103028094
5-methoxy-5-methyl-N-propylhex-1-en-3-amine
CID 103028095
7-methoxy-N,7-dimethyloct-1-en-4-amine
CID 103036044
N-[2-(1-but-3-enoxycyclobutyl)ethyl]propan-2-amine
CID 103273001

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine (CID 103559518) is 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine is C=CC(CC1(OC)CCC1)NC.
What is the InChIKey of 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine?
The InChIKey is IPCBRFPGHQZFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(11-2)8-10(12-3)6-5-7-10/h4,9,11H,1,5-8H2,2-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine?
1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 103559518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).