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

C15H31N3O — CID 103227378

IUPAC1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCOCC(CNC1CC1)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H31N3O/c1-17(2)15(8-5-9-15)12-18(3)14(11-19-4)10-16-13-6-7-13/h13-14,16H,5-12H2,1-4H3
InChIKeyXNKSMZGQUJMWEU-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.17
Rot. Bonds9

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

1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine (PubChem CID 103227378) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
PubChem CID103227378
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
SMILESCOCC(CNC1CC1)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H31N3O/c1-17(2)15(8-5-9-15)12-18(3)14(11-19-4)10-16-13-6-7-13/h13-14,16H,5-12H2,1-4H3
InChIKeyXNKSMZGQUJMWEU-UHFFFAOYSA-N
XLogP1.17
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
1-N-cyclopropyl-3-methoxy-2-N,2-N-dimethylpropane-1,2-diamine
CID 103225416
1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227020
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 103225619
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-(2-methylprop-2-enyl)propane-1,2-diamine
CID 103227237
1-N-cyclopropyl-3-methoxy-2-N-methyl-2-N-pentylpropane-1,2-diamine
CID 103225626
1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
CID 105414257
2-N-butan-2-yl-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225506
2-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225942
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
1-N,2-N-dicyclopropyl-2-N-(cyclopropylmethyl)-3-methoxypropane-1,2-diamine
CID 103226758
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-ethyl-3-methoxypropane-1,2-diamine
CID 103226668

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine (CID 103227378) is 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine is COCC(CNC1CC1)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine?
The InChIKey is XNKSMZGQUJMWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-17(2)15(8-5-9-15)12-18(3)14(11-19-4)10-16-13-6-7-13/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine?
1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine has a molecular weight of 269.43 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103227378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).