1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol

C13H26N2O2 — CID 61431345

IUPAC1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol
SMILESCN(CC(O)CNC1CC1)CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-15(10-13-4-2-3-7-17-13)9-12(16)8-14-11-5-6-11/h11-14,16H,2-10H2,1H3
InChIKeyIONIMVZBAMTSMP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.60
Rot. Bonds7

About 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol

1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol (PubChem CID 61431345) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol
PubChem CID61431345
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol
SMILESCN(CC(O)CNC1CC1)CC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-15(10-13-4-2-3-7-17-13)9-12(16)8-14-11-5-6-11/h11-14,16H,2-10H2,1H3
InChIKeyIONIMVZBAMTSMP-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
(2S)-1-[methyl(oxolan-2-ylmethyl)amino]propan-2-ol
CID 103935026
1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 43272018
N,2-dimethyl-N'-(2-methylpropyl)-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62430661
1-cyclopentyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745209
1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 79314199
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
1-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63695532
1-cyclohexyl-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 104745207
1-[methyl(oxan-2-ylmethyl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 110902606
1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 62428882
1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
CID 63693072

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol (CID 61431345) is 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol is CN(CC(O)CNC1CC1)CC1CCCCO1.
What is the InChIKey of 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is IONIMVZBAMTSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(10-13-4-2-3-7-17-13)9-12(16)8-14-11-5-6-11/h11-14,16H,2-10H2,1H3.
What are the key properties of 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol?
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 61431345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).