6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one

C14H27NO — CID 116577998

IUPAC6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one
SMILESCC(C)C(CCN)CCC(=O)CCC1CC1
InChIInChI=1S/C14H27NO/c1-11(2)13(9-10-15)6-8-14(16)7-5-12-3-4-12/h11-13H,3-10,15H2,1-2H3
InChIKeyPEXFWVGUIYWBDT-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.15
Rot. Bonds9

About 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one

6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one (PubChem CID 116577998) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one
PubChem CID116577998
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one
SMILESCC(C)C(CCN)CCC(=O)CCC1CC1
InChIInChI=1S/C14H27NO/c1-11(2)13(9-10-15)6-8-14(16)7-5-12-3-4-12/h11-13H,3-10,15H2,1-2H3
InChIKeyPEXFWVGUIYWBDT-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6R)-7-amino-5-(fluoromethyl)-4,6-dimethylheptan-3-one
CID 163483566
N-isovaleroylnonylamine
CID 129775795
8-(2-Aminoethyl)-1,1,1-trifluoro-9-methyldecan-5-one
CID 116577976
7-(2-Aminoethyl)-1,1,1-trifluoro-8-methylnonan-4-one
CID 116578026
10-Amino-8-ethyl-1,1,1-trifluorodecan-5-one
CID 116578262
9-Amino-7-ethyl-1,1,1-trifluorononan-4-one
CID 116578315
10-Amino-1,1,1-trifluoro-8-methyldecan-5-one
CID 116581686
9-Amino-1,1,1-trifluoro-7-methylnonan-4-one
CID 116581740
8-Amino-2,2-dimethyloctan-3-one
CID 20604024
7-Amino-4-methylheptan-3-one
CID 21299510
1-[4-(Aminomethyl)cyclohexyl]ethanone
CID 21334577
4-Amino-2-methyloctan-3-one
CID 21339064

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one?
The IUPAC name of 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one (CID 116577998) is 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one.
What is the SMILES notation for 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one?
The canonical SMILES for 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one is CC(C)C(CCN)CCC(=O)CCC1CC1.
What is the InChIKey of 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one?
The InChIKey is PEXFWVGUIYWBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)13(9-10-15)6-8-14(16)7-5-12-3-4-12/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one?
6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one has a molecular weight of 225.38 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one is sourced from PubChem (CID 116577998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).