N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine

C11H21NO — CID 115278117

IUPACN,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
SMILESCNCC(=CC1CCOC1)C(C)C
InChIInChI=1S/C11H21NO/c1-9(2)11(7-12-3)6-10-4-5-13-8-10/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyUQLVSNWKGIGRAL-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.82
Rot. Bonds4

About N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine

N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine (PubChem CID 115278117) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
PubChem CID115278117
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
SMILESCNCC(=CC1CCOC1)C(C)C
InChIInChI=1S/C11H21NO/c1-9(2)11(7-12-3)6-10-4-5-13-8-10/h6,9-10,12H,4-5,7-8H2,1-3H3
InChIKeyUQLVSNWKGIGRAL-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.82
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

(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79323519
N-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 115278072
N,3-dimethyl-2-(thiolan-3-ylmethylidene)butan-1-amine
CID 107133855
4-[2-(bromomethyl)-3-methylbut-1-enyl]oxane
CID 79323809
3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine
CID 103093573
(2Z)-N-ethyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79329656
N-methyl-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79329418
3-[2-(bromomethyl)but-1-enyl]oxolane
CID 115278036
2-(cyclopropylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339426
3-(3-methyl-2-nitrobut-1-enyl)oxane
CID 115347625
N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine
CID 117266258
2-(cyclopentylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339346

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine (CID 115278117) is N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine is CNCC(=CC1CCOC1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
The InChIKey is UQLVSNWKGIGRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)11(7-12-3)6-10-4-5-13-8-10/h6,9-10,12H,4-5,7-8H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine?
N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(oxolan-3-ylmethylidene)butan-1-amine is sourced from PubChem (CID 115278117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).