N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine

C14H27NO — CID 79330143

IUPACN-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine
SMILESCCC(=CC1CCOCC1)CNCC(C)C
InChIInChI=1S/C14H27NO/c1-4-13(11-15-10-12(2)3)9-14-5-7-16-8-6-14/h9,12,14-15H,4-8,10-11H2,1-3H3
InChIKeyIHYFJMINIIELJO-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds6

About N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine

N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine (PubChem CID 79330143) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine
PubChem CID79330143
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine
SMILESCCC(=CC1CCOCC1)CNCC(C)C
InChIInChI=1S/C14H27NO/c1-4-13(11-15-10-12(2)3)9-14-5-7-16-8-6-14/h9,12,14-15H,4-8,10-11H2,1-3H3
InChIKeyIHYFJMINIIELJO-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine (CID 79330143) is N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine is CCC(=CC1CCOCC1)CNCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine?
The InChIKey is IHYFJMINIIELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-13(11-15-10-12(2)3)9-14-5-7-16-8-6-14/h9,12,14-15H,4-8,10-11H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine?
N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79330143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).