[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol

C12H22N2O — CID 105366063

IUPAC[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol
SMILESOCC1(NCC2CC2)CCN2CCC1C2
InChIInChI=1S/C12H22N2O/c15-9-12(13-7-10-1-2-10)4-6-14-5-3-11(12)8-14/h10-11,13,15H,1-9H2
InChIKeyUHVKXFHQEGHGHP-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.44
Rot. Bonds4

About [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol

[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol (PubChem CID 105366063) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol
PubChem CID105366063
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol
SMILESOCC1(NCC2CC2)CCN2CCC1C2
InChIInChI=1S/C12H22N2O/c15-9-12(13-7-10-1-2-10)4-6-14-5-3-11(12)8-14/h10-11,13,15H,1-9H2
InChIKeyUHVKXFHQEGHGHP-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol?
The IUPAC name of [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol (CID 105366063) is [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol.
What is the SMILES notation for [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol?
The canonical SMILES for [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol is OCC1(NCC2CC2)CCN2CCC1C2.
What is the InChIKey of [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol?
The InChIKey is UHVKXFHQEGHGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-9-12(13-7-10-1-2-10)4-6-14-5-3-11(12)8-14/h10-11,13,15H,1-9H2.
What are the key properties of [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol?
[4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol has a molecular weight of 210.32 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)-1-azabicyclo[3.2.1]octan-4-yl]methanol is sourced from PubChem (CID 105366063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).