(2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine

C13H25NO — CID 82837038

IUPAC(2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C/C1CCCO1)CNCC(C)C
InChIInChI=1S/C13H25NO/c1-4-12(10-14-9-11(2)3)8-13-6-5-7-15-13/h8,11,13-14H,4-7,9-10H2,1-3H3/b12-8-
InChIKeyMXOKIXBHYCXARS-WQLSENKSSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

About (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine

(2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine (PubChem CID 82837038) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name(2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
PubChem CID82837038
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCC/C(=C/C1CCCO1)CNCC(C)C
InChIInChI=1S/C13H25NO/c1-4-12(10-14-9-11(2)3)8-13-6-5-7-15-13/h8,11,13-14H,4-7,9-10H2,1-3H3/b12-8-
InChIKeyMXOKIXBHYCXARS-WQLSENKSSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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
ethane;4-ethyl-3,6-dihydro-2H-pyran;3-propan-2-yl-2,5-dihydro-1H-pyrrole
CID 178633124
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methylpropyl)butan-1-amine
CID 79328688
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethylbutan-1-amine
CID 79329300
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-propylbutan-1-amine
CID 79329893
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-propylbutan-1-amine
CID 79338626
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79338938
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339783

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The IUPAC name of (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine (CID 82837038) is (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The canonical SMILES for (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine is CC/C(=C/C1CCCO1)CNCC(C)C.
What is the InChIKey of (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The InChIKey is MXOKIXBHYCXARS-WQLSENKSSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-12(10-14-9-11(2)3)8-13-6-5-7-15-13/h8,11,13-14H,4-7,9-10H2,1-3H3/b12-8-.
What are the key properties of (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine?
(2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 82837038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).