2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide

C11H22N4O2 — CID 79121744

IUPAC2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C11H22N4O2/c1-7(10(16)14-11(13)17)15(2)9-5-3-8(12)4-6-9/h7-9H,3-6,12H2,1-2H3,(H3,13,14,16,17)
InChIKeyXKYWZUXLCTWGSU-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.23
Rot. Bonds3

About 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide

2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide (PubChem CID 79121744) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
PubChem CID79121744
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C11H22N4O2/c1-7(10(16)14-11(13)17)15(2)9-5-3-8(12)4-6-9/h7-9H,3-6,12H2,1-2H3,(H3,13,14,16,17)
InChIKeyXKYWZUXLCTWGSU-UHFFFAOYSA-N
XLogP-0.23
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide (CID 79121744) is 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide is CC(C(=O)NC(N)=O)N(C)C1CCC(N)CC1.
What is the InChIKey of 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide?
The InChIKey is XKYWZUXLCTWGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-7(10(16)14-11(13)17)15(2)9-5-3-8(12)4-6-9/h7-9H,3-6,12H2,1-2H3,(H3,13,14,16,17).
What are the key properties of 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide?
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide has a molecular weight of 242.32 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide is sourced from PubChem (CID 79121744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).