(2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine

C12H23NO — CID 79339957

IUPAC(2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
SMILESCCNC/C(=C\C1CCOC1)C(C)C
InChIInChI=1S/C12H23NO/c1-4-13-8-12(10(2)3)7-11-5-6-14-9-11/h7,10-11,13H,4-6,8-9H2,1-3H3/b12-7+
InChIKeyIANXBGURNSBCIH-KPKJPENVSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds5

About (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine

(2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine (PubChem CID 79339957) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
PubChem CID79339957
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
SMILESCCNC/C(=C\C1CCOC1)C(C)C
InChIInChI=1S/C12H23NO/c1-4-13-8-12(10(2)3)7-11-5-6-14-9-11/h7,10-11,13H,4-6,8-9H2,1-3H3/b12-7+
InChIKeyIANXBGURNSBCIH-KPKJPENVSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
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 (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The IUPAC name of (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine (CID 79339957) is (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The canonical SMILES for (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine is CCNC/C(=C\C1CCOC1)C(C)C.
What is the InChIKey of (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The InChIKey is IANXBGURNSBCIH-KPKJPENVSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-13-8-12(10(2)3)7-11-5-6-14-9-11/h7,10-11,13H,4-6,8-9H2,1-3H3/b12-7+.
What are the key properties of (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
(2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79339957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).