1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol

C12H27N3O — CID 63693072

IUPAC1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
SMILESCN(C)CCCN(C)CC(O)CNC1CC1
InChIInChI=1S/C12H27N3O/c1-14(2)7-4-8-15(3)10-12(16)9-13-11-5-6-11/h11-13,16H,4-10H2,1-3H3
InChIKeyBJNSHAUMJACKEJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds9

About 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol

1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol (PubChem CID 63693072) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
PubChem CID63693072
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
SMILESCN(C)CCCN(C)CC(O)CNC1CC1
InChIInChI=1S/C12H27N3O/c1-14(2)7-4-8-15(3)10-12(16)9-13-11-5-6-11/h11-13,16H,4-10H2,1-3H3
InChIKeyBJNSHAUMJACKEJ-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63695532
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-N',2-dimethylpropane-1,3-diamine
CID 63725312
1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 43272018
1-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058826
1-(dimethylamino)-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 115671208
3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
CID 22058011
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
1-(dimethylamino)-3-[(4-propylcyclohexyl)amino]propan-2-ol
CID 54962696
1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
CID 43165876
1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
CID 105414257
1-(cyclopropylamino)-3-[1-cyclopropylethyl(methyl)amino]propan-2-ol
CID 43569026
2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propanoic acid
CID 63699458

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol (CID 63693072) is 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol is CN(C)CCCN(C)CC(O)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol?
The InChIKey is BJNSHAUMJACKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-14(2)7-4-8-15(3)10-12(16)9-13-11-5-6-11/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol?
1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol is sourced from PubChem (CID 63693072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).