N-(6-methylhept-5-en-2-yl)oxolan-3-amine

C12H23NO — CID 115895777

IUPACN-(6-methylhept-5-en-2-yl)oxolan-3-amine
SMILESCC(C)=CCCC(C)NC1CCOC1
InChIInChI=1S/C12H23NO/c1-10(2)5-4-6-11(3)13-12-7-8-14-9-12/h5,11-13H,4,6-9H2,1-3H3
InChIKeyJZCBUPHAOMHSLI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About N-(6-methylhept-5-en-2-yl)oxolan-3-amine

N-(6-methylhept-5-en-2-yl)oxolan-3-amine (PubChem CID 115895777) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(6-methylhept-5-en-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(6-methylhept-5-en-2-yl)oxolan-3-amine
PubChem CID115895777
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(6-methylhept-5-en-2-yl)oxolan-3-amine
SMILESCC(C)=CCCC(C)NC1CCOC1
InChIInChI=1S/C12H23NO/c1-10(2)5-4-6-11(3)13-12-7-8-14-9-12/h5,11-13H,4,6-9H2,1-3H3
InChIKeyJZCBUPHAOMHSLI-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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 N-(6-methylhept-5-en-2-yl)oxolan-3-amine?
The IUPAC name of N-(6-methylhept-5-en-2-yl)oxolan-3-amine (CID 115895777) is N-(6-methylhept-5-en-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(6-methylhept-5-en-2-yl)oxolan-3-amine?
The canonical SMILES for N-(6-methylhept-5-en-2-yl)oxolan-3-amine is CC(C)=CCCC(C)NC1CCOC1.
What is the InChIKey of N-(6-methylhept-5-en-2-yl)oxolan-3-amine?
The InChIKey is JZCBUPHAOMHSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)5-4-6-11(3)13-12-7-8-14-9-12/h5,11-13H,4,6-9H2,1-3H3.
What are the key properties of N-(6-methylhept-5-en-2-yl)oxolan-3-amine?
N-(6-methylhept-5-en-2-yl)oxolan-3-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylhept-5-en-2-yl)oxolan-3-amine is sourced from PubChem (CID 115895777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).