2-[(4-aminocyclohexyl)-propylamino]acetamide

C11H23N3O — CID 79111803

IUPAC2-[(4-aminocyclohexyl)-propylamino]acetamide
SMILESCCCN(CC(N)=O)C1CCC(N)CC1
InChIInChI=1S/C11H23N3O/c1-2-7-14(8-11(13)15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3,(H2,13,15)
InChIKeyDKFGOCYUAMQFSK-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.45
Rot. Bonds5

About 2-[(4-aminocyclohexyl)-propylamino]acetamide

2-[(4-aminocyclohexyl)-propylamino]acetamide (PubChem CID 79111803) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-propylamino]acetamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-propylamino]acetamide
PubChem CID79111803
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(4-aminocyclohexyl)-propylamino]acetamide
SMILESCCCN(CC(N)=O)C1CCC(N)CC1
InChIInChI=1S/C11H23N3O/c1-2-7-14(8-11(13)15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3,(H2,13,15)
InChIKeyDKFGOCYUAMQFSK-UHFFFAOYSA-N
XLogP0.45
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-propylamino]acetamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-propylamino]acetamide (CID 79111803) is 2-[(4-aminocyclohexyl)-propylamino]acetamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-propylamino]acetamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-propylamino]acetamide is CCCN(CC(N)=O)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-propylamino]acetamide?
The InChIKey is DKFGOCYUAMQFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-7-14(8-11(13)15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3,(H2,13,15).
What are the key properties of 2-[(4-aminocyclohexyl)-propylamino]acetamide?
2-[(4-aminocyclohexyl)-propylamino]acetamide has a molecular weight of 213.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-propylamino]acetamide is sourced from PubChem (CID 79111803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).