5-amino-1-cyclopropyl-2-methylpentane-2,4-diol

C9H19NO2 — CID 165438618

IUPAC5-amino-1-cyclopropyl-2-methylpentane-2,4-diol
SMILESCC(O)(CC(O)CN)CC1CC1
InChIInChI=1S/C9H19NO2/c1-9(12,4-7-2-3-7)5-8(11)6-10/h7-8,11-12H,2-6,10H2,1H3
InChIKeyNBJYYTNVZNQGSM-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.25
Rot. Bonds5

About 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol

5-amino-1-cyclopropyl-2-methylpentane-2,4-diol (PubChem CID 165438618) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-2-methylpentane-2,4-diol
PubChem CID165438618
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-amino-1-cyclopropyl-2-methylpentane-2,4-diol
SMILESCC(O)(CC(O)CN)CC1CC1
InChIInChI=1S/C9H19NO2/c1-9(12,4-7-2-3-7)5-8(11)6-10/h7-8,11-12H,2-6,10H2,1H3
InChIKeyNBJYYTNVZNQGSM-UHFFFAOYSA-N
XLogP0.25
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol?
The IUPAC name of 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol (CID 165438618) is 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol.
What is the SMILES notation for 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol?
The canonical SMILES for 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol is CC(O)(CC(O)CN)CC1CC1.
What is the InChIKey of 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol?
The InChIKey is NBJYYTNVZNQGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(12,4-7-2-3-7)5-8(11)6-10/h7-8,11-12H,2-6,10H2,1H3.
What are the key properties of 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol?
5-amino-1-cyclopropyl-2-methylpentane-2,4-diol has a molecular weight of 173.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-2-methylpentane-2,4-diol is sourced from PubChem (CID 165438618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).