1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine

C13H28N2O — CID 62542038

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCOCCNC1(CN)CC(C)CC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-11-7-12(2,3)9-13(8-11,10-14)15-5-6-16-4/h11,15H,5-10,14H2,1-4H3
InChIKeyJFDYQXRJIZANLB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.77
Rot. Bonds5

About 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 62542038) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
PubChem CID62542038
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCOCCNC1(CN)CC(C)CC(C)(C)C1
InChIInChI=1S/C13H28N2O/c1-11-7-12(2,3)9-13(8-11,10-14)15-5-6-16-4/h11,15H,5-10,14H2,1-4H3
InChIKeyJFDYQXRJIZANLB-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.77
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

[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 111757450
1-(aminomethyl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 62066180
1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine
CID 62071894
1-(2-methoxyethylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 61340491
1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320431
1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 82237677
4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine
CID 62539718
3-[[(1S,5R)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 97022779
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61448592
N-[1-(aminomethyl)-3-methylcyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 103562986
1-(2-methoxyethylamino)-2,4,4-trimethylcyclopentane-1-carboxylic acid
CID 106663401
[1-(ethylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 61050703

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine (CID 62542038) is 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine is COCCNC1(CN)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is JFDYQXRJIZANLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11-7-12(2,3)9-13(8-11,10-14)15-5-6-16-4/h11,15H,5-10,14H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 62542038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).