N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine

C14H27NO — CID 105005712

IUPACN-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1C(C)OC(C)C1C
InChIInChI=1S/C14H27NO/c1-7-9(2)8-13(15-6)14-10(3)11(4)16-12(14)5/h10-15H,2,7-8H2,1,3-6H3
InChIKeyOCUIFAUKNMNSKC-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds5

About N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine

N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine (PubChem CID 105005712) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
PubChem CID105005712
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine
SMILESC=C(CC)CC(NC)C1C(C)OC(C)C1C
InChIInChI=1S/C14H27NO/c1-7-9(2)8-13(15-6)14-10(3)11(4)16-12(14)5/h10-15H,2,7-8H2,1,3-6H3
InChIKeyOCUIFAUKNMNSKC-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
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-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine (CID 105005712) is N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine is C=C(CC)CC(NC)C1C(C)OC(C)C1C.
What is the InChIKey of N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine?
The InChIKey is OCUIFAUKNMNSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-9(2)8-13(15-6)14-10(3)11(4)16-12(14)5/h10-15H,2,7-8H2,1,3-6H3.
What are the key properties of N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine?
N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-(2,4,5-trimethyloxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 105005712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).