4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine

C12H23NO — CID 79592462

IUPAC4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine
SMILESCC(=CCCN)CCCC1CCCO1
InChIInChI=1S/C12H23NO/c1-11(6-3-9-13)5-2-7-12-8-4-10-14-12/h6,12H,2-5,7-10,13H2,1H3
InChIKeyFHNZDDLMPGXTAG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds6

About 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine

4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine (PubChem CID 79592462) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine
PubChem CID79592462
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine
SMILESCC(=CCCN)CCCC1CCCO1
InChIInChI=1S/C12H23NO/c1-11(6-3-9-13)5-2-7-12-8-4-10-14-12/h6,12H,2-5,7-10,13H2,1H3
InChIKeyFHNZDDLMPGXTAG-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
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 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine?
The IUPAC name of 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine (CID 79592462) is 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine.
What is the SMILES notation for 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine?
The canonical SMILES for 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine is CC(=CCCN)CCCC1CCCO1.
What is the InChIKey of 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine?
The InChIKey is FHNZDDLMPGXTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(6-3-9-13)5-2-7-12-8-4-10-14-12/h6,12H,2-5,7-10,13H2,1H3.
What are the key properties of 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine?
4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(oxolan-2-yl)hept-3-en-1-amine is sourced from PubChem (CID 79592462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).