2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine

C15H33N3O — CID 103227382

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H33N3O/c1-6-10-16-11-14(12-19-5)18(4)13-15(17(2)3)8-7-9-15/h14,16H,6-13H2,1-5H3
InChIKeyXGROKIKZQRADSY-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.42
Rot. Bonds10

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine (PubChem CID 103227382) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
PubChem CID103227382
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H33N3O/c1-6-10-16-11-14(12-19-5)18(4)13-15(17(2)3)8-7-9-15/h14,16H,6-13H2,1-5H3
InChIKeyXGROKIKZQRADSY-UHFFFAOYSA-N
XLogP1.42
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine (CID 103227382) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine is CCCNCC(COC)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine?
The InChIKey is XGROKIKZQRADSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-6-10-16-11-14(12-19-5)18(4)13-15(17(2)3)8-7-9-15/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine has a molecular weight of 271.45 g/mol, XLogP of 1.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103227382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).