(2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine

C13H25NO — CID 82837258

IUPAC(2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
SMILESCCCNC/C(=C\C1CCCO1)C(C)C
InChIInChI=1S/C13H25NO/c1-4-7-14-10-12(11(2)3)9-13-6-5-8-15-13/h9,11,13-14H,4-8,10H2,1-3H3/b12-9+
InChIKeyUNYAQKZDTGGWDL-FMIVXFBMSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

About (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine

(2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine (PubChem CID 82837258) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine.

Molecular Properties

Compound Name(2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
PubChem CID82837258
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
SMILESCCCNC/C(=C\C1CCCO1)C(C)C
InChIInChI=1S/C13H25NO/c1-4-7-14-10-12(11(2)3)9-13-6-5-8-15-13/h9,11,13-14H,4-8,10H2,1-3H3/b12-9+
InChIKeyUNYAQKZDTGGWDL-FMIVXFBMSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[(3-methylcyclohexyl)methylidene]-N-propylbutan-1-amine
CID 113247518
2-(2-methylprop-1-enyl)oxolane
CID 12735917
2-(cyclopentylmethylidene)-N-ethyl-3-methylbutan-1-amine
CID 79339346
CID 101368257
CID 101368257
2-methyl-3-(oxolan-2-ylmethylsulfanyl)-N-propylpropan-1-amine
CID 106495354
1-(propylamino)propan-2-yl oxolane-2-carboxylate
CID 82532677
2-(oxolan-2-ylmethylsulfanylmethyl)-N-propylprop-2-en-1-amine
CID 106495349
4-methyl-5-(oxolan-2-yl)-N-propylpent-3-en-1-amine
CID 79598732
1-(oxolan-2-yl)ethanol;propanal
CID 174771711
2-[(Z)-pent-1-enyl]oxolane
CID 11083976
N-[2-(propylamino)ethyl]oxolane-2-carboxamide
CID 62658997
ethane;oxolane-2-carbaldehyde
CID 142055620

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine?
The IUPAC name of (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine (CID 82837258) is (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine.
What is the SMILES notation for (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine?
The canonical SMILES for (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine is CCCNC/C(=C\C1CCCO1)C(C)C.
What is the InChIKey of (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine?
The InChIKey is UNYAQKZDTGGWDL-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-14-10-12(11(2)3)9-13-6-5-8-15-13/h9,11,13-14H,4-8,10H2,1-3H3/b12-9+.
What are the key properties of (2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine?
(2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-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)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine is sourced from PubChem (CID 82837258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).