(2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

C14H27NO — CID 82839273

IUPAC(2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCC/C(=C\C1CCC(C)O1)CNC(C)(C)C
InChIInChI=1S/C14H27NO/c1-6-12(10-15-14(3,4)5)9-13-8-7-11(2)16-13/h9,11,13,15H,6-8,10H2,1-5H3/b12-9+
InChIKeyNQTQIFGGGQTWOG-FMIVXFBMSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds4

About (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

(2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (PubChem CID 82839273) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name(2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
PubChem CID82839273
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCC/C(=C\C1CCC(C)O1)CNC(C)(C)C
InChIInChI=1S/C14H27NO/c1-6-12(10-15-14(3,4)5)9-13-8-7-11(2)16-13/h9,11,13,15H,6-8,10H2,1-5H3/b12-9+
InChIKeyNQTQIFGGGQTWOG-FMIVXFBMSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
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 (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The IUPAC name of (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (CID 82839273) is (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The canonical SMILES for (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is CC/C(=C\C1CCC(C)O1)CNC(C)(C)C.
What is the InChIKey of (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The InChIKey is NQTQIFGGGQTWOG-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H27NO/c1-6-12(10-15-14(3,4)5)9-13-8-7-11(2)16-13/h9,11,13,15H,6-8,10H2,1-5H3/b12-9+.
What are the key properties of (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
(2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-tert-butyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 82839273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).