3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide

C13H26N2O2 — CID 63009884

IUPAC3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide
SMILESCOCCCN(C)C(=O)C1CCCC(N)C1C
InChIInChI=1S/C13H26N2O2/c1-10-11(6-4-7-12(10)14)13(16)15(2)8-5-9-17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyJPAJAVUIOBIPMQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.24
Rot. Bonds5

About 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide

3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide (PubChem CID 63009884) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide
PubChem CID63009884
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide
SMILESCOCCCN(C)C(=O)C1CCCC(N)C1C
InChIInChI=1S/C13H26N2O2/c1-10-11(6-4-7-12(10)14)13(16)15(2)8-5-9-17-3/h10-12H,4-9,14H2,1-3H3
InChIKeyJPAJAVUIOBIPMQ-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.24
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

cis-(1S,2R)-2-[3-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94912240
3-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclohexane-1-carboxamide
CID 81074150
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782674
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
3-amino-N-cyclopentyl-N-ethyl-2-methylcyclohexane-1-carboxamide
CID 55116462
3-amino-N,N-diethyl-2-methylcyclohexane-1-carboxamide
CID 62777725
trans-(1S,2S)-2-amino-N-[3-(4-fluorophenoxy)propyl]-N-methylcyclopentane-1-carboxamide
CID 99849846
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide
CID 62781010
3-amino-2-methyl-N,N-bis(3-methylbutyl)cyclohexane-1-carboxamide
CID 107871513
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide (CID 63009884) is 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide is COCCCN(C)C(=O)C1CCCC(N)C1C.
What is the InChIKey of 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is JPAJAVUIOBIPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-11(6-4-7-12(10)14)13(16)15(2)8-5-9-17-3/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide?
3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxypropyl)-N,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 63009884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).