N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine

C15H29NO — CID 79339650

IUPACN-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine
SMILESCC(C)C(=CC1CCOCC1)CNC(C)(C)C
InChIInChI=1S/C15H29NO/c1-12(2)14(11-16-15(3,4)5)10-13-6-8-17-9-7-13/h10,12-13,16H,6-9,11H2,1-5H3
InChIKeyVDPAAVJTEGQQCJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.38
Rot. Bonds4

About N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine

N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine (PubChem CID 79339650) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine
PubChem CID79339650
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine
SMILESCC(C)C(=CC1CCOCC1)CNC(C)(C)C
InChIInChI=1S/C15H29NO/c1-12(2)14(11-16-15(3,4)5)10-13-6-8-17-9-7-13/h10,12-13,16H,6-9,11H2,1-5H3
InChIKeyVDPAAVJTEGQQCJ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine (CID 79339650) is N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine is CC(C)C(=CC1CCOCC1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine?
The InChIKey is VDPAAVJTEGQQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)14(11-16-15(3,4)5)10-13-6-8-17-9-7-13/h10,12-13,16H,6-9,11H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine?
N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-(oxan-4-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79339650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).