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

C12H23NO — CID 103559552

IUPACN-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine
SMILESC=C(C)C(CC1(OC)CCC1)NCC
InChIInChI=1S/C12H23NO/c1-5-13-11(10(2)3)9-12(14-4)7-6-8-12/h11,13H,2,5-9H2,1,3-4H3
InChIKeyMXWOZQVXPNAZTA-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

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

N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine (PubChem CID 103559552) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine
PubChem CID103559552
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine
SMILESC=C(C)C(CC1(OC)CCC1)NCC
InChIInChI=1S/C12H23NO/c1-5-13-11(10(2)3)9-12(14-4)7-6-8-12/h11,13H,2,5-9H2,1,3-4H3
InChIKeyMXWOZQVXPNAZTA-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 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 ≤ 52.50
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-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine?
The IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine (CID 103559552) is N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine is C=C(C)C(CC1(OC)CCC1)NCC.
What is the InChIKey of N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine?
The InChIKey is MXWOZQVXPNAZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-13-11(10(2)3)9-12(14-4)7-6-8-12/h11,13H,2,5-9H2,1,3-4H3.
What are the key properties of N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine?
N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclobutyl)-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103559552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).