(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine

C13H25NO — CID 82836926

IUPAC(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCCO1)CNC(C)(C)C
InChIInChI=1S/C13H25NO/c1-5-11(10-14-13(2,3)4)9-12-7-6-8-15-12/h9,12,14H,5-8,10H2,1-4H3/b11-9+
InChIKeyJYPSKFJWLNPCLL-PKNBQFBNSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds4

About (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine

(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine (PubChem CID 82836926) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine
PubChem CID82836926
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C\C1CCCO1)CNC(C)(C)C
InChIInChI=1S/C13H25NO/c1-5-11(10-14-13(2,3)4)9-12-7-6-8-15-12/h9,12,14H,5-8,10H2,1-4H3/b11-9+
InChIKeyJYPSKFJWLNPCLL-PKNBQFBNSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
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

(E)-N-methyl-2-[(2Z)-2-(oxolan-3-ylidene)ethyl]but-2-en-1-amine
CID 142987860
(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-diene
CID 144515525
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663
3-[(4-methyl-3,6-dihydro-2H-pyran-6-yl)methyl]-2,5-dihydro-1H-pyrrole
CID 167165142
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350
(2E)-N-tert-butyl-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)butan-1-amine
CID 79329235
(E)-N-tert-butyl-3-(3,4-dihydro-2H-pyran-2-yl)-2-methylprop-2-en-1-amine
CID 79341371
N-tert-butyl-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79607204
4-(Oxolan-2-ylmethylidene)piperidine
CID 79879663
3-((Tetrahydrofuran-2-yl)methylene)pyrrolidine
CID 79879799
(3E)-3-(oxolan-2-ylmethylidene)piperidine
CID 79880294

Frequently Asked Questions

What is the IUPAC name of (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The IUPAC name of (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine (CID 82836926) is (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The canonical SMILES for (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine is CC/C(=C\C1CCCO1)CNC(C)(C)C.
What is the InChIKey of (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The InChIKey is JYPSKFJWLNPCLL-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-11(10-14-13(2,3)4)9-12-7-6-8-15-12/h9,12,14H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of (2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 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-(oxolan-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 82836926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).