1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one

C15H25N3O — CID 82907487

IUPAC1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one
SMILESCCN(CCn1ccccc1=O)C1CCC(N)CC1
InChIInChI=1S/C15H25N3O/c1-2-17(14-8-6-13(16)7-9-14)11-12-18-10-4-3-5-15(18)19/h3-5,10,13-14H,2,6-9,11-12,16H2,1H3
InChIKeySMELGNBFTGUULB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.44
Rot. Bonds5

About 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one

1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one (PubChem CID 82907487) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one
PubChem CID82907487
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one
SMILESCCN(CCn1ccccc1=O)C1CCC(N)CC1
InChIInChI=1S/C15H25N3O/c1-2-17(14-8-6-13(16)7-9-14)11-12-18-10-4-3-5-15(18)19/h3-5,10,13-14H,2,6-9,11-12,16H2,1H3
InChIKeySMELGNBFTGUULB-UHFFFAOYSA-N
XLogP1.44
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one (CID 82907487) is 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one is CCN(CCn1ccccc1=O)C1CCC(N)CC1.
What is the InChIKey of 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one?
The InChIKey is SMELGNBFTGUULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-17(14-8-6-13(16)7-9-14)11-12-18-10-4-3-5-15(18)19/h3-5,10,13-14H,2,6-9,11-12,16H2,1H3.
What are the key properties of 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one?
1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82907487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).