N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine

C12H24N2O — CID 75525428

IUPACN-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CN(C)CCO1
InChIInChI=1S/C12H24N2O/c1-4-5-6-11(2)13-9-12-10-14(3)7-8-15-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyHCTMYWGUGSUARJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds6

About N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine

N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine (PubChem CID 75525428) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine
PubChem CID75525428
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CN(C)CCO1
InChIInChI=1S/C12H24N2O/c1-4-5-6-11(2)13-9-12-10-14(3)7-8-15-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyHCTMYWGUGSUARJ-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine (CID 75525428) is N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCC1CN(C)CCO1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine?
The InChIKey is HCTMYWGUGSUARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-11(2)13-9-12-10-14(3)7-8-15-12/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine?
N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 75525428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).