2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

C15H28N2O3 — CID 104678478

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESNCC1(CC(=O)NCC2(O)CCOCC2)CCCCC1
InChIInChI=1S/C15H28N2O3/c16-11-14(4-2-1-3-5-14)10-13(18)17-12-15(19)6-8-20-9-7-15/h19H,1-12,16H2,(H,17,18)
InChIKeySHCLUEIUABRUQG-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.94
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (PubChem CID 104678478) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
PubChem CID104678478
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
SMILESNCC1(CC(=O)NCC2(O)CCOCC2)CCCCC1
InChIInChI=1S/C15H28N2O3/c16-11-14(4-2-1-3-5-14)10-13(18)17-12-15(19)6-8-20-9-7-15/h19H,1-12,16H2,(H,17,18)
InChIKeySHCLUEIUABRUQG-UHFFFAOYSA-N
XLogP0.94
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
2-(1-aminocyclobutyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130546
2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81169258
2-[1-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 65108169
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclobutyl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 81168839
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
2-amino-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122282
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-cycloheptyl-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 111825728
2-[1-(aminomethyl)cyclobutyl]-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 114143583
2-(1-aminocyclohexyl)-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122600

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide (CID 104678478) is 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is NCC1(CC(=O)NCC2(O)CCOCC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
The InChIKey is SHCLUEIUABRUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c16-11-14(4-2-1-3-5-14)10-13(18)17-12-15(19)6-8-20-9-7-15/h19H,1-12,16H2,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide has a molecular weight of 284.40 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[(4-hydroxyoxan-4-yl)methyl]acetamide is sourced from PubChem (CID 104678478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).