2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide

C12H24N2O2 — CID 65050602

IUPAC2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
SMILESCC(OC1(CN)CCCCC1)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-10(11(15)14(2)3)16-12(9-13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3
InChIKeyQQVQXCWHTBRPRA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide

2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide (PubChem CID 65050602) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
PubChem CID65050602
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
SMILESCC(OC1(CN)CCCCC1)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-10(11(15)14(2)3)16-12(9-13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3
InChIKeyQQVQXCWHTBRPRA-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
CID 65051264
2-[1-(aminomethyl)-4-tert-butylcyclohexyl]oxy-N,N-dimethylpropanamide
CID 65052232
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65050882
3-[1-(aminomethyl)cyclooctyl]oxybutan-2-ol
CID 103376997
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
2-[1-(aminomethyl)cycloheptyl]oxy-N,N-dimethylacetamide
CID 65052011
2-[1-(aminomethyl)cycloheptyl]oxy-N-phenylpropanamide
CID 65051692
(1-butan-2-yloxycycloheptyl)methanamine
CID 62108575
(1-butan-2-yloxycyclohexyl)methanamine
CID 62108209
2-[1-(aminomethyl)cyclopentyl]oxybutanoic acid
CID 65050864
2-[1-(aminomethyl)cyclopentyl]oxy-N-methyl-N-propan-2-ylacetamide
CID 65051036

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide (CID 65050602) is 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide is CC(OC1(CN)CCCCC1)C(=O)N(C)C.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide?
The InChIKey is QQVQXCWHTBRPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(11(15)14(2)3)16-12(9-13)7-5-4-6-8-12/h10H,4-9,13H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide?
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide is sourced from PubChem (CID 65050602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).