2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

C15H30N2O2 — CID 106147918

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-14(2,8-9-18)12-17-13(19)10-15(11-16)6-4-3-5-7-15/h18H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyYNIZJDQIDIFJNK-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.81
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (PubChem CID 106147918) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
PubChem CID106147918
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
SMILESCC(C)(CCO)CNC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-14(2,8-9-18)12-17-13(19)10-15(11-16)6-4-3-5-7-15/h18H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyYNIZJDQIDIFJNK-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[2-(methanesulfonamido)-2-methylpropyl]acetamide
CID 104678245
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
2-[1-(aminomethyl)cyclohexyl]-N-(3-aminopropyl)acetamide
CID 104677967
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)acetamide
CID 82680747
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclobutyl]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 81169440
2-[1-(aminomethyl)cyclohexyl]-N-[3-(2-methylpentan-2-ylsulfanyl)propyl]acetamide
CID 155427786
2-[1-(aminomethyl)cyclobutyl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291709

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide (CID 106147918) is 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide is CC(C)(CCO)CNC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
The InChIKey is YNIZJDQIDIFJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-14(2,8-9-18)12-17-13(19)10-15(11-16)6-4-3-5-7-15/h18H,3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide has a molecular weight of 270.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,2-dimethylbutyl)acetamide is sourced from PubChem (CID 106147918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).