3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one

C10H19NO — CID 116574051

IUPAC3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one
SMILESCC(C)C(CN)C(=O)CC1CC1
InChIInChI=1S/C10H19NO/c1-7(2)9(6-11)10(12)5-8-3-4-8/h7-9H,3-6,11H2,1-2H3
InChIKeyQIWOVHCVWDWQLT-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.59
Rot. Bonds5

About 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one

3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one (PubChem CID 116574051) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one
PubChem CID116574051
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one
SMILESCC(C)C(CN)C(=O)CC1CC1
InChIInChI=1S/C10H19NO/c1-7(2)9(6-11)10(12)5-8-3-4-8/h7-9H,3-6,11H2,1-2H3
InChIKeyQIWOVHCVWDWQLT-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one?
The IUPAC name of 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one (CID 116574051) is 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one?
The canonical SMILES for 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one is CC(C)C(CN)C(=O)CC1CC1.
What is the InChIKey of 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one?
The InChIKey is QIWOVHCVWDWQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)9(6-11)10(12)5-8-3-4-8/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one?
3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one is sourced from PubChem (CID 116574051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).