3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine

C15H30N2O — CID 75383157

IUPAC3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine
SMILESC=CCC(C)C(C)NC(C)C(C)N1CCOCC1
InChIInChI=1S/C15H30N2O/c1-6-7-12(2)13(3)16-14(4)15(5)17-8-10-18-11-9-17/h6,12-16H,1,7-11H2,2-5H3
InChIKeyBOBYWLFRNUFRSU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.29
Rot. Bonds7

About 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine

3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine (PubChem CID 75383157) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine
PubChem CID75383157
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine
SMILESC=CCC(C)C(C)NC(C)C(C)N1CCOCC1
InChIInChI=1S/C15H30N2O/c1-6-7-12(2)13(3)16-14(4)15(5)17-8-10-18-11-9-17/h6,12-16H,1,7-11H2,2-5H3
InChIKeyBOBYWLFRNUFRSU-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.29
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 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine?
The IUPAC name of 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine (CID 75383157) is 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine.
What is the SMILES notation for 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine?
The canonical SMILES for 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine is C=CCC(C)C(C)NC(C)C(C)N1CCOCC1.
What is the InChIKey of 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine?
The InChIKey is BOBYWLFRNUFRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-7-12(2)13(3)16-14(4)15(5)17-8-10-18-11-9-17/h6,12-16H,1,7-11H2,2-5H3.
What are the key properties of 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine?
3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine has a molecular weight of 254.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine is sourced from PubChem (CID 75383157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).