2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine

C15H30N2O — CID 79051330

IUPAC2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine
SMILESC=CCCC(NCCC)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H30N2O/c1-5-7-8-14(16-9-6-2)15(3,4)17-10-12-18-13-11-17/h5,14,16H,1,6-13H2,2-4H3
InChIKeyASBWOGRPSHRPEH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds8

About 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine

2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine (PubChem CID 79051330) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine
PubChem CID79051330
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine
SMILESC=CCCC(NCCC)C(C)(C)N1CCOCC1
InChIInChI=1S/C15H30N2O/c1-5-7-8-14(16-9-6-2)15(3,4)17-10-12-18-13-11-17/h5,14,16H,1,6-13H2,2-4H3
InChIKeyASBWOGRPSHRPEH-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
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 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine?
The IUPAC name of 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine (CID 79051330) is 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine is C=CCCC(NCCC)C(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine?
The InChIKey is ASBWOGRPSHRPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-7-8-14(16-9-6-2)15(3,4)17-10-12-18-13-11-17/h5,14,16H,1,6-13H2,2-4H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine?
2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-N-propylhept-6-en-3-amine is sourced from PubChem (CID 79051330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).