1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide

C12H22N4O3 — CID 62923934

IUPAC1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)N(CC(N)=O)CC(N)=O)CCCCC1
InChIInChI=1S/C12H22N4O3/c13-8-12(4-2-1-3-5-12)11(19)16(6-9(14)17)7-10(15)18/h1-8,13H2,(H2,14,17)(H2,15,18)
InChIKeyCNOAHEQZPZOULB-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.31
Rot. Bonds6

About 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide (PubChem CID 62923934) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide
PubChem CID62923934
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide
SMILESNCC1(C(=O)N(CC(N)=O)CC(N)=O)CCCCC1
InChIInChI=1S/C12H22N4O3/c13-8-12(4-2-1-3-5-12)11(19)16(6-9(14)17)7-10(15)18/h1-8,13H2,(H2,14,17)(H2,15,18)
InChIKeyCNOAHEQZPZOULB-UHFFFAOYSA-N
XLogP-1.31
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclopentane-1-carboxamide
CID 62923756
2-[[1-(aminomethyl)cycloheptanecarbonyl]-(carboxymethyl)amino]acetic acid
CID 115444111
1-(aminomethyl)-N,N-dimethylcyclopentane-1-carboxamide
CID 54593229
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcycloheptane-1-carboxamide
CID 63956979
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 115443914
N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide
CID 80591690
1-(aminomethyl)cyclohexane-1-carbonyl chloride
CID 142629542
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
1-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119729842
1-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylcyclopentane-1-carboxamide
CID 63695176
1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide
CID 115444211

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide (CID 62923934) is 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide is NCC1(C(=O)N(CC(N)=O)CC(N)=O)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide?
The InChIKey is CNOAHEQZPZOULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c13-8-12(4-2-1-3-5-12)11(19)16(6-9(14)17)7-10(15)18/h1-8,13H2,(H2,14,17)(H2,15,18).
What are the key properties of 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-bis(2-amino-2-oxoethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62923934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).