4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane

C14H29NO — CID 142239702

IUPAC4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane
SMILESCC.CC1(CCC(N)C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23NO.C2H6/c1-11(2,3)10(14)9(13)5-6-12(4)7-8-12;1-2/h9H,5-8,13H2,1-4H3;1-2H3
InChIKeyGLFJKQVBJVIXQZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.54
Rot. Bonds4

About 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane

4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane (PubChem CID 142239702) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane
PubChem CID142239702
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane
SMILESCC.CC1(CCC(N)C(=O)C(C)(C)C)CC1
InChIInChI=1S/C12H23NO.C2H6/c1-11(2,3)10(14)9(13)5-6-12(4)7-8-12;1-2/h9H,5-8,13H2,1-4H3;1-2H3
InChIKeyGLFJKQVBJVIXQZ-UHFFFAOYSA-N
XLogP3.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane?
The IUPAC name of 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane (CID 142239702) is 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane.
What is the SMILES notation for 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane?
The canonical SMILES for 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane is CC.CC1(CCC(N)C(=O)C(C)(C)C)CC1.
What is the InChIKey of 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane?
The InChIKey is GLFJKQVBJVIXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C2H6/c1-11(2,3)10(14)9(13)5-6-12(4)7-8-12;1-2/h9H,5-8,13H2,1-4H3;1-2H3.
What are the key properties of 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane?
4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane has a molecular weight of 227.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-6-(1-methylcyclopropyl)hexan-3-one;ethane is sourced from PubChem (CID 142239702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).