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

C14H29N3O — CID 105414257

IUPAC1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
SMILESCN(CC(O)CNC1CC1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H29N3O/c1-16(2)14(7-4-8-14)11-17(3)10-13(18)9-15-12-5-6-12/h12-13,15,18H,4-11H2,1-3H3
InChIKeyCQOQTCSLQBPKSZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.52
Rot. Bonds8

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

1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol (PubChem CID 105414257) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
PubChem CID105414257
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
SMILESCN(CC(O)CNC1CC1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H29N3O/c1-16(2)14(7-4-8-14)11-17(3)10-13(18)9-15-12-5-6-12/h12-13,15,18H,4-11H2,1-3H3
InChIKeyCQOQTCSLQBPKSZ-UHFFFAOYSA-N
XLogP0.52
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 43272018
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
1-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63695532
1-N-cyclopropyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227378
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
CID 63693072
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
1-(cyclopropylamino)-3-[methyl-[(4-methylphenyl)methyl]amino]propan-2-ol
CID 43165876
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992271
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol
CID 61431345
1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 79314199
1-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 81058826

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol (CID 105414257) is 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol is CN(CC(O)CNC1CC1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol?
The InChIKey is CQOQTCSLQBPKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16(2)14(7-4-8-14)11-17(3)10-13(18)9-15-12-5-6-12/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol?
1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol has a molecular weight of 255.41 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 105414257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).