4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide

C14H28N2O2 — CID 65052593

IUPAC4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide
SMILESCC1CCCC(CN)(OCCCC(=O)N(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-12-6-4-8-14(10-12,11-15)18-9-5-7-13(17)16(2)3/h12H,4-11,15H2,1-3H3
InChIKeyPCQPTOXHBZWKSN-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds6

About 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide

4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide (PubChem CID 65052593) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide
PubChem CID65052593
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide
SMILESCC1CCCC(CN)(OCCCC(=O)N(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-12-6-4-8-14(10-12,11-15)18-9-5-7-13(17)16(2)3/h12H,4-11,15H2,1-3H3
InChIKeyPCQPTOXHBZWKSN-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N,N-dimethylpropanamide
CID 65051629
4-[1-(aminomethyl)-3-methylcyclohexyl]oxybutan-1-ol
CID 65052251
[1-(3-ethylsulfonylpropoxy)-3-methylcyclohexyl]methanamine
CID 65093651
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
CID 65052349
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
2-[1-(aminomethyl)-3-methylcyclopentyl]oxy-N-ethyl-N-methylacetamide
CID 65051568
[1-(3-ethylsulfonylpropoxy)-3-methylcyclopentyl]methanamine
CID 65093753
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-morpholin-4-ylethanone
CID 65052834
2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
CID 65052011
1-[1-(aminomethyl)-3-methylcyclohexyl]oxy-3-propan-2-yloxypropan-2-ol
CID 65052736
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
CID 65052926
1-(iodomethyl)-3-methyl-1-pentoxycyclohexane
CID 114773697

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide?
The IUPAC name of 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide (CID 65052593) is 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide?
The canonical SMILES for 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide is CC1CCCC(CN)(OCCCC(=O)N(C)C)C1.
What is the InChIKey of 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide?
The InChIKey is PCQPTOXHBZWKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12-6-4-8-14(10-12,11-15)18-9-5-7-13(17)16(2)3/h12H,4-11,15H2,1-3H3.
What are the key properties of 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide?
4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide has a molecular weight of 256.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N,N-dimethylbutanamide is sourced from PubChem (CID 65052593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).