2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide

C12H22N4O3 — CID 62921617

IUPAC2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)N(CC(N)=O)CC(N)=O)C1N
InChIInChI=1S/C12H22N4O3/c1-7-3-2-4-8(11(7)15)12(19)16(5-9(13)17)6-10(14)18/h7-8,11H,2-6,15H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyZEKAFKYHWFCFAY-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.45
Rot. Bonds5

About 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide

2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 62921617) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide
PubChem CID62921617
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)N(CC(N)=O)CC(N)=O)C1N
InChIInChI=1S/C12H22N4O3/c1-7-3-2-4-8(11(7)15)12(19)16(5-9(13)17)6-10(14)18/h7-8,11H,2-6,15H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyZEKAFKYHWFCFAY-UHFFFAOYSA-N
XLogP-1.45
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide (CID 62921617) is 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(C(=O)N(CC(N)=O)CC(N)=O)C1N.
What is the InChIKey of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is ZEKAFKYHWFCFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-7-3-2-4-8(11(7)15)12(19)16(5-9(13)17)6-10(14)18/h7-8,11H,2-6,15H2,1H3,(H2,13,17)(H2,14,18).
What are the key properties of 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide?
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62921617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).