N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide

C11H23N3O — CID 104677966

IUPACN-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
SMILESNCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C11H23N3O/c12-6-7-14-10(15)8-11(9-13)4-2-1-3-5-11/h1-9,12-13H2,(H,14,15)
InChIKeyPWXAVLGOOZJGGZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.36
Rot. Bonds5

About N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide

N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide (PubChem CID 104677966) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
PubChem CID104677966
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
SMILESNCCNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C11H23N3O/c12-6-7-14-10(15)8-11(9-13)4-2-1-3-5-11/h1-9,12-13H2,(H,14,15)
InChIKeyPWXAVLGOOZJGGZ-UHFFFAOYSA-N
XLogP0.36
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-[2-(2-aminoethylamino)-2-oxoethyl]cyclohexyl]acetic acid
CID 60941419
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-[4-(dimethylamino)butyl]acetamide
CID 104678084
2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 113440176
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
2-[1-(aminomethyl)cyclohexyl]-N-[3-(methanesulfonamido)propyl]acetamide
CID 104844350

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide (CID 104677966) is N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide is NCCNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
The InChIKey is PWXAVLGOOZJGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c12-6-7-14-10(15)8-11(9-13)4-2-1-3-5-11/h1-9,12-13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide?
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide has a molecular weight of 213.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide is sourced from PubChem (CID 104677966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).