1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine

C14H28N2O2 — CID 64549157

IUPAC1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCCN2CCOCC2)CCCCCC1
InChIInChI=1S/C14H28N2O2/c15-14(5-3-1-2-4-6-14)13-18-12-9-16-7-10-17-11-8-16/h1-13,15H2
InChIKeyCRDSIEBNSRDQBM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds5

About 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine

1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine (PubChem CID 64549157) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine
PubChem CID64549157
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCCN2CCOCC2)CCCCCC1
InChIInChI=1S/C14H28N2O2/c15-14(5-3-1-2-4-6-14)13-18-12-9-16-7-10-17-11-8-16/h1-13,15H2
InChIKeyCRDSIEBNSRDQBM-UHFFFAOYSA-N
XLogP1.39
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Cycloheptylmorpholine
CID 54058202
9-Methyl-4-oxa-1-azaspiro[5.6]dodecane
CID 130832557
2-(Methoxymethyl)-1,2,5-trimethyl-3,4,4a,6,7,8,9,9a-octahydrocyclohepta[b]pyridin-5-amine
CID 156533465
2-(methoxymethyl)-1,2-dimethyl-4,4a,5,6,7,8,9,9a-octahydro-3H-cyclohepta[b]pyridin-5-amine
CID 166461807
ZINC 1-[2-[di(ethyl)amino]ethoxymethyl]cyclohexan-1-amine
CID 176577128
1-(2-Pyrrolidin-1-ylethoxymethyl)cycloheptan-1-amine
CID 64548953
1-[2-(Dimethylamino)ethoxymethyl]cycloheptan-1-amine
CID 64549368
1-(2-Piperidin-1-ylethoxymethyl)cycloheptan-1-amine
CID 64549772
1-[2-(Diethylamino)ethoxymethyl]cycloheptan-1-amine
CID 64550883
2-[(1-Aminocycloheptyl)methoxy]-1-morpholin-4-ylethanone
CID 64551692
1-(2-Morpholin-4-ylethoxymethyl)cyclohexan-1-amine
CID 64571422
1-(2-Morpholin-4-ylethoxymethyl)cyclopentan-1-amine
CID 64572039

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine (CID 64549157) is 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine is NC1(COCCN2CCOCC2)CCCCCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine?
The InChIKey is CRDSIEBNSRDQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c15-14(5-3-1-2-4-6-14)13-18-12-9-16-7-10-17-11-8-16/h1-13,15H2.
What are the key properties of 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine?
1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64549157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).