1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine

C12H23NO — CID 103169031

IUPAC1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(N)CC1CC(OCC)C1
InChIInChI=1S/C12H23NO/c1-4-14-12-7-10(8-12)6-11(13)5-9(2)3/h10-12H,2,4-8,13H2,1,3H3
InChIKeyCTXDGQKCNZDKRK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.49
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine

1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine (PubChem CID 103169031) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine
PubChem CID103169031
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(N)CC1CC(OCC)C1
InChIInChI=1S/C12H23NO/c1-4-14-12-7-10(8-12)6-11(13)5-9(2)3/h10-12H,2,4-8,13H2,1,3H3
InChIKeyCTXDGQKCNZDKRK-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.49
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-Methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038049
3-Methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038289
3-Methyl-1-(oxan-3-yl)but-3-en-1-amine
CID 79184856
3-Methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80174294
1-(Cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163055
1-(Cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103163063
1-(3-Ethoxycyclobutyl)-3-methylbutan-2-amine
CID 103168201
1-(3-Ethoxycyclobutyl)pentan-2-amine
CID 103168212
1-(3-Ethoxycyclobutyl)-4-methylpentan-2-amine
CID 103168223
1-(3-ethoxycyclobutyl)-N-propylpent-4-en-2-amine
CID 103168310
1-(3-ethoxycyclobutyl)-N-methylpent-4-en-2-amine
CID 103168311
1-(3-Ethoxycyclobutyl)pent-4-en-2-amine
CID 103168312

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine (CID 103169031) is 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine is C=C(C)CC(N)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine?
The InChIKey is CTXDGQKCNZDKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-14-12-7-10(8-12)6-11(13)5-9(2)3/h10-12H,2,4-8,13H2,1,3H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine?
1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-4-methylpent-4-en-2-amine is sourced from PubChem (CID 103169031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).