2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol

C12H24N2O2 — CID 82744556

IUPAC2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
SMILESCC1OCCC1N(C)CC(N)(CO)C1CC1
InChIInChI=1S/C12H24N2O2/c1-9-11(5-6-16-9)14(2)7-12(13,8-15)10-3-4-10/h9-11,15H,3-8,13H2,1-2H3
InChIKeyXPHAUZNISOZTPD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.20
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol

2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol (PubChem CID 82744556) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
PubChem CID82744556
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
SMILESCC1OCCC1N(C)CC(N)(CO)C1CC1
InChIInChI=1S/C12H24N2O2/c1-9-11(5-6-16-9)14(2)7-12(13,8-15)10-3-4-10/h9-11,15H,3-8,13H2,1-2H3
InChIKeyXPHAUZNISOZTPD-UHFFFAOYSA-N
XLogP0.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 82745922
N',2,2-trimethyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718331
2,2-difluoro-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 165467125
2-amino-3-[cyclohexyl(methyl)amino]-2-cyclopropylpropan-1-ol
CID 64796314
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743553
4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 115778219
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butanamide
CID 82743708
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82749509
2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743702
N,2,2-triethyl-N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82743290
2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 64789409

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol (CID 82744556) is 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol is CC1OCCC1N(C)CC(N)(CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
The InChIKey is XPHAUZNISOZTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-11(5-6-16-9)14(2)7-12(13,8-15)10-3-4-10/h9-11,15H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol?
2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol has a molecular weight of 228.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol is sourced from PubChem (CID 82744556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).