1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol

C10H21NO2 — CID 62396754

IUPAC1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC1CC1C
InChIInChI=1S/C10H21NO2/c1-7(2)13-6-9(12)5-11-10-4-8(10)3/h7-12H,4-6H2,1-3H3
InChIKeyWTFHBXPMTHCHQY-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds6

About 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol

1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 62396754) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID62396754
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNC1CC1C
InChIInChI=1S/C10H21NO2/c1-7(2)13-6-9(12)5-11-10-4-8(10)3/h7-12H,4-6H2,1-3H3
InChIKeyWTFHBXPMTHCHQY-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol (CID 62396754) is 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNC1CC1C.
What is the InChIKey of 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is WTFHBXPMTHCHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)13-6-9(12)5-11-10-4-8(10)3/h7-12H,4-6H2,1-3H3.
What are the key properties of 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol?
1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 62396754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).