4-(aminomethyl)-1-propan-2-yloxyhexan-2-one

C10H21NO2 — CID 116596211

IUPAC4-(aminomethyl)-1-propan-2-yloxyhexan-2-one
SMILESCCC(CN)CC(=O)COC(C)C
InChIInChI=1S/C10H21NO2/c1-4-9(6-11)5-10(12)7-13-8(2)3/h8-9H,4-7,11H2,1-3H3
InChIKeyGWOGWPDXCJHTKA-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.36
Rot. Bonds7

About 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one

4-(aminomethyl)-1-propan-2-yloxyhexan-2-one (PubChem CID 116596211) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-propan-2-yloxyhexan-2-one
PubChem CID116596211
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(aminomethyl)-1-propan-2-yloxyhexan-2-one
SMILESCCC(CN)CC(=O)COC(C)C
InChIInChI=1S/C10H21NO2/c1-4-9(6-11)5-10(12)7-13-8(2)3/h8-9H,4-7,11H2,1-3H3
InChIKeyGWOGWPDXCJHTKA-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-propan-2-yloxyhexan-2-one
CID 105125435
4-amino-1-propan-2-yloxypentan-2-one
CID 116555847
methyl 3-(aminomethyl)pentanoate
CID 66099134
4-amino-5,5-dimethyl-1-propan-2-yloxyhexan-2-one
CID 116608413
6-(aminomethyl)-2-methyloct-1-en-4-one
CID 116596361
3-(aminomethyl)-7-methylidenenonan-5-one
CID 116596430
7-(aminomethyl)-2,2-dimethylnonan-5-one
CID 116596157
5-(aminomethyl)-1-ethylsulfonylheptan-3-one
CID 106736726
2-ethyl-4-propan-2-yloxybutan-1-amine
CID 62505912
5-(aminomethyl)-1-methylsulfonylheptan-3-one
CID 116596376
6-(aminomethyl)-1-ethylsulfonyloctan-4-one
CID 116596279
3-(aminomethyl)pentanehydrazide
CID 81079841

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one?
The IUPAC name of 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one (CID 116596211) is 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one?
The canonical SMILES for 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one is CCC(CN)CC(=O)COC(C)C.
What is the InChIKey of 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one?
The InChIKey is GWOGWPDXCJHTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-9(6-11)5-10(12)7-13-8(2)3/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one?
4-(aminomethyl)-1-propan-2-yloxyhexan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-propan-2-yloxyhexan-2-one is sourced from PubChem (CID 116596211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).