4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine

C12H23NO — CID 166831256

IUPAC4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine
SMILESC=C(CCCNC)CC1CC(CC)O1
InChIInChI=1S/C12H23NO/c1-4-11-9-12(14-11)8-10(2)6-5-7-13-3/h11-13H,2,4-9H2,1,3H3
InChIKeyCLEGZJRURWRYGD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine

4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine (PubChem CID 166831256) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine
PubChem CID166831256
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine
SMILESC=C(CCCNC)CC1CC(CC)O1
InChIInChI=1S/C12H23NO/c1-4-11-9-12(14-11)8-10(2)6-5-7-13-3/h11-13H,2,4-9H2,1,3H3
InChIKeyCLEGZJRURWRYGD-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine?
The IUPAC name of 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine (CID 166831256) is 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine.
What is the SMILES notation for 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine?
The canonical SMILES for 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine is C=C(CCCNC)CC1CC(CC)O1.
What is the InChIKey of 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine?
The InChIKey is CLEGZJRURWRYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-11-9-12(14-11)8-10(2)6-5-7-13-3/h11-13H,2,4-9H2,1,3H3.
What are the key properties of 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine?
4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyloxetan-2-yl)methyl]-N-methylpent-4-en-1-amine is sourced from PubChem (CID 166831256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).