N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine

C13H25NO — CID 75382729

IUPACN-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine
SMILESC=CCCC(CC)NC(C)C1CCCO1
InChIInChI=1S/C13H25NO/c1-4-6-8-12(5-2)14-11(3)13-9-7-10-15-13/h4,11-14H,1,5-10H2,2-3H3
InChIKeyMTSQDODKZFGCOJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds7

About N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine

N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine (PubChem CID 75382729) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine
PubChem CID75382729
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine
SMILESC=CCCC(CC)NC(C)C1CCCO1
InChIInChI=1S/C13H25NO/c1-4-6-8-12(5-2)14-11(3)13-9-7-10-15-13/h4,11-14H,1,5-10H2,2-3H3
InChIKeyMTSQDODKZFGCOJ-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine (CID 75382729) is N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine is C=CCCC(CC)NC(C)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine?
The InChIKey is MTSQDODKZFGCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-8-12(5-2)14-11(3)13-9-7-10-15-13/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine?
N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]hept-6-en-3-amine is sourced from PubChem (CID 75382729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).