4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine

C13H25NO — CID 79598104

IUPAC4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCC(=CCCNC(C)C)CC1CCCO1
InChIInChI=1S/C13H25NO/c1-11(2)14-8-4-6-12(3)10-13-7-5-9-15-13/h6,11,13-14H,4-5,7-10H2,1-3H3
InChIKeyMEUVUPNYLHWBBL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds6

About 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine

4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine (PubChem CID 79598104) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine
PubChem CID79598104
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine
SMILESCC(=CCCNC(C)C)CC1CCCO1
InChIInChI=1S/C13H25NO/c1-11(2)14-8-4-6-12(3)10-13-7-5-9-15-13/h6,11,13-14H,4-5,7-10H2,1-3H3
InChIKeyMEUVUPNYLHWBBL-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine?
The IUPAC name of 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine (CID 79598104) is 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine.
What is the SMILES notation for 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine?
The canonical SMILES for 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine is CC(=CCCNC(C)C)CC1CCCO1.
What is the InChIKey of 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine?
The InChIKey is MEUVUPNYLHWBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)14-8-4-6-12(3)10-13-7-5-9-15-13/h6,11,13-14H,4-5,7-10H2,1-3H3.
What are the key properties of 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine?
4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxolan-2-yl)-N-propan-2-ylpent-3-en-1-amine is sourced from PubChem (CID 79598104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).