7-amino-1-(2-ethylcyclohexyl)heptan-1-one

C15H29NO — CID 116551389

IUPAC7-amino-1-(2-ethylcyclohexyl)heptan-1-one
SMILESCCC1CCCCC1C(=O)CCCCCCN
InChIInChI=1S/C15H29NO/c1-2-13-9-6-7-10-14(13)15(17)11-5-3-4-8-12-16/h13-14H,2-12,16H2,1H3
InChIKeyRDHNBOHICXVNAF-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.68
Rot. Bonds8

About 7-amino-1-(2-ethylcyclohexyl)heptan-1-one

7-amino-1-(2-ethylcyclohexyl)heptan-1-one (PubChem CID 116551389) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 7-amino-1-(2-ethylcyclohexyl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(2-ethylcyclohexyl)heptan-1-one
PubChem CID116551389
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name7-amino-1-(2-ethylcyclohexyl)heptan-1-one
SMILESCCC1CCCCC1C(=O)CCCCCCN
InChIInChI=1S/C15H29NO/c1-2-13-9-6-7-10-14(13)15(17)11-5-3-4-8-12-16/h13-14H,2-12,16H2,1H3
InChIKeyRDHNBOHICXVNAF-UHFFFAOYSA-N
XLogP3.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516
3-cyclopentyl-1-(2-ethylcyclohexyl)propan-1-one
CID 114973791
7-amino-1-cyclopentylheptan-1-one
CID 116551360
1-(2-aminocyclopentyl)heptan-1-one
CID 116580217
1-(2-aminocyclopentyl)octan-1-one
CID 116580099
1-[2-(aminomethyl)cyclohexyl]-3-ethylsulfonylpropan-1-one
CID 106736580
1-(2-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146799
1-(2-ethylcyclohexyl)-2-(2-fluorophenyl)ethanone
CID 63862356
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
7-amino-N-[(2-methylcyclohexyl)methyl]heptanamide
CID 55012025
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
1-[2-(aminomethyl)cyclohexyl]-3-methylsulfonylpropan-1-one
CID 116584697

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-ethylcyclohexyl)heptan-1-one?
The IUPAC name of 7-amino-1-(2-ethylcyclohexyl)heptan-1-one (CID 116551389) is 7-amino-1-(2-ethylcyclohexyl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(2-ethylcyclohexyl)heptan-1-one?
The canonical SMILES for 7-amino-1-(2-ethylcyclohexyl)heptan-1-one is CCC1CCCCC1C(=O)CCCCCCN.
What is the InChIKey of 7-amino-1-(2-ethylcyclohexyl)heptan-1-one?
The InChIKey is RDHNBOHICXVNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-13-9-6-7-10-14(13)15(17)11-5-3-4-8-12-16/h13-14H,2-12,16H2,1H3.
What are the key properties of 7-amino-1-(2-ethylcyclohexyl)heptan-1-one?
7-amino-1-(2-ethylcyclohexyl)heptan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-ethylcyclohexyl)heptan-1-one is sourced from PubChem (CID 116551389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).