1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane

C16H34N2O — CID 177156080

IUPAC1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane
SMILESCC.CCNC(CC1CCC(N)CC1)C(=O)C(C)C
InChIInChI=1S/C14H28N2O.C2H6/c1-4-16-13(14(17)10(2)3)9-11-5-7-12(15)8-6-11;1-2/h10-13,16H,4-9,15H2,1-3H3;1-2H3
InChIKeyDDVTVMLHHQDHQF-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane

1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane (PubChem CID 177156080) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane
PubChem CID177156080
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane
SMILESCC.CCNC(CC1CCC(N)CC1)C(=O)C(C)C
InChIInChI=1S/C14H28N2O.C2H6/c1-4-16-13(14(17)10(2)3)9-11-5-7-12(15)8-6-11;1-2/h10-13,16H,4-9,15H2,1-3H3;1-2H3
InChIKeyDDVTVMLHHQDHQF-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane?
The IUPAC name of 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane (CID 177156080) is 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane is CC.CCNC(CC1CCC(N)CC1)C(=O)C(C)C.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane?
The InChIKey is DDVTVMLHHQDHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.C2H6/c1-4-16-13(14(17)10(2)3)9-11-5-7-12(15)8-6-11;1-2/h10-13,16H,4-9,15H2,1-3H3;1-2H3.
What are the key properties of 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane?
1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane has a molecular weight of 270.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane is sourced from PubChem (CID 177156080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).