N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine

C12H25N2O+ — CID 123571942

IUPACN-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine
SMILESCNC1CCC(C[N+]2(C)CCOCC2)C1
InChIInChI=1S/C12H25N2O/c1-13-12-4-3-11(9-12)10-14(2)5-7-15-8-6-14/h11-13H,3-10H2,1-2H3/q+1
InChIKeyIAEGLTZXWMGLII-UHFFFAOYSA-N
MW213.34 g/mol
LogP0.85
Rot. Bonds3

About N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine

N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine (PubChem CID 123571942) has the molecular formula C12H25N2O+ and a molecular weight of 213.34 g/mol. Its IUPAC name is N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine
PubChem CID123571942
Molecular FormulaC12H25N2O+
Molecular Weight213.34 g/mol
Exact Mass213.20
IUPAC NameN-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine
SMILESCNC1CCC(C[N+]2(C)CCOCC2)C1
InChIInChI=1S/C12H25N2O/c1-13-12-4-3-11(9-12)10-14(2)5-7-15-8-6-14/h11-13H,3-10H2,1-2H3/q+1
InChIKeyIAEGLTZXWMGLII-UHFFFAOYSA-N
XLogP0.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopentylmethyl)-4-methylmorpholin-4-ium
CID 20666194
[3-[(4-oxidomorpholin-4-ium-4-yl)methyl]cyclopentyl]hydrazine
CID 123649650
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
4-methyl-4-[[5-[(4-methylmorpholin-4-ium-4-yl)methyl]-1,4-dioxan-2-yl]methyl]morpholin-4-ium diiodide
CID 21236631
(4-methylmorpholin-4-ium-4-yl)methanamine
CID 57313569
3-but-3-ynyl-N-methylcyclopentan-1-amine
CID 64505187
N-methyl-3-nonylcyclopentan-1-amine
CID 64505656
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668
N-methyl-3-(oxan-4-ylsulfonyl)cyclohexan-1-amine
CID 64716936
N-(3-ethylcyclobutyl)oxolan-3-amine
CID 130644988
3-N-(oxan-4-ylmethyl)cyclopentane-1,3-diamine
CID 79461695

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine (CID 123571942) is N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine is CNC1CCC(C[N+]2(C)CCOCC2)C1.
What is the InChIKey of N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is IAEGLTZXWMGLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N2O/c1-13-12-4-3-11(9-12)10-14(2)5-7-15-8-6-14/h11-13H,3-10H2,1-2H3/q+1.
What are the key properties of N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine?
N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 213.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 123571942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).