N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine

C14H26N4O — CID 77083860

IUPACN-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine
SMILESCc1ncc(CN(C)CCCCN2CCOCC2)[nH]1
InChIInChI=1S/C14H26N4O/c1-13-15-11-14(16-13)12-17(2)5-3-4-6-18-7-9-19-10-8-18/h11H,3-10,12H2,1-2H3,(H,15,16)
InChIKeyPSUAFLKRUWDPRX-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.26
Rot. Bonds7

About N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine

N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine (PubChem CID 77083860) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine
PubChem CID77083860
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine
SMILESCc1ncc(CN(C)CCCCN2CCOCC2)[nH]1
InChIInChI=1S/C14H26N4O/c1-13-15-11-14(16-13)12-17(2)5-3-4-6-18-7-9-19-10-8-18/h11H,3-10,12H2,1-2H3,(H,15,16)
InChIKeyPSUAFLKRUWDPRX-UHFFFAOYSA-N
XLogP1.26
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.26
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

1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-cyclobutylmorpholine
CID 71694297
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-propan-2-ylmorpholine
CID 75367195
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)-4-methylmorpholine
CID 75536200
3-[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]piperidine
CID 91911381
1-(cyclopropylmethyl)-9-(1H-imidazol-5-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396293
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
CID 97471136
N,N-dimethyl-1-[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methanamine
CID 118739392
N-ethyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine
CID 118746023
1-[(1H-Imidazol-4-yl)methyl]piperazine
CID 9793928
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
2-[1-(2-Methoxyethyl)-5-methyl-1H-imidazol-2-YL]ethan-1-amine
CID 86820595

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine?
The IUPAC name of N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine (CID 77083860) is N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine is Cc1ncc(CN(C)CCCCN2CCOCC2)[nH]1.
What is the InChIKey of N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine?
The InChIKey is PSUAFLKRUWDPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13-15-11-14(16-13)12-17(2)5-3-4-6-18-7-9-19-10-8-18/h11H,3-10,12H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine?
N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 77083860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).