(1-amino-2-butylcyclopropyl)methanol

C8H17NO — CID 10726049

IUPAC(1-amino-2-butylcyclopropyl)methanol
SMILESCCCCC1CC1(N)CO
InChIInChI=1S/C8H17NO/c1-2-3-4-7-5-8(7,9)6-10/h7,10H,2-6,9H2,1H3
InChIKeyFKAOQBKFBZMYKE-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.89
Rot. Bonds4

About (1-amino-2-butylcyclopropyl)methanol

(1-amino-2-butylcyclopropyl)methanol (PubChem CID 10726049) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1-amino-2-butylcyclopropyl)methanol.

Molecular Properties

Compound Name(1-amino-2-butylcyclopropyl)methanol
PubChem CID10726049
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1-amino-2-butylcyclopropyl)methanol
SMILESCCCCC1CC1(N)CO
InChIInChI=1S/C8H17NO/c1-2-3-4-7-5-8(7,9)6-10/h7,10H,2-6,9H2,1H3
InChIKeyFKAOQBKFBZMYKE-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-butylcyclopropyl)methanol?
The IUPAC name of (1-amino-2-butylcyclopropyl)methanol (CID 10726049) is (1-amino-2-butylcyclopropyl)methanol.
What is the SMILES notation for (1-amino-2-butylcyclopropyl)methanol?
The canonical SMILES for (1-amino-2-butylcyclopropyl)methanol is CCCCC1CC1(N)CO.
What is the InChIKey of (1-amino-2-butylcyclopropyl)methanol?
The InChIKey is FKAOQBKFBZMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-3-4-7-5-8(7,9)6-10/h7,10H,2-6,9H2,1H3.
What are the key properties of (1-amino-2-butylcyclopropyl)methanol?
(1-amino-2-butylcyclopropyl)methanol has a molecular weight of 143.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-butylcyclopropyl)methanol is sourced from PubChem (CID 10726049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).