2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide

C15H30N2O2 — CID 65052926

IUPAC2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
SMILESCCCCNC(=O)C(C)OC1(CN)CCCC(C)C1
InChIInChI=1S/C15H30N2O2/c1-4-5-9-17-14(18)13(3)19-15(11-16)8-6-7-12(2)10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyJYEOLMNGYVGMPN-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.22
Rot. Bonds7

About 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide

2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide (PubChem CID 65052926) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
PubChem CID65052926
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide
SMILESCCCCNC(=O)C(C)OC1(CN)CCCC(C)C1
InChIInChI=1S/C15H30N2O2/c1-4-5-9-17-14(18)13(3)19-15(11-16)8-6-7-12(2)10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18)
InChIKeyJYEOLMNGYVGMPN-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-(2-methylbutan-2-yl)propanamide
CID 65052494
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-(azepan-1-yl)propan-1-one
CID 65052541
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65051160
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-ethylacetamide
CID 65052349
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
CID 65051383
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
CID 65050515
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65052742

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide?
The IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide (CID 65052926) is 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide.
What is the SMILES notation for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide?
The canonical SMILES for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide is CCCCNC(=O)C(C)OC1(CN)CCCC(C)C1.
What is the InChIKey of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide?
The InChIKey is JYEOLMNGYVGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-5-9-17-14(18)13(3)19-15(11-16)8-6-7-12(2)10-15/h12-13H,4-11,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide?
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-N-butylpropanamide is sourced from PubChem (CID 65052926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).