N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine

C16H30N4O — CID 66135620

IUPACN-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCCn1cncc1CNCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C16H30N4O/c1-4-19-13-18-12-16(19)11-17-10-15(9-14(2)3)20-5-7-21-8-6-20/h12-15,17H,4-11H2,1-3H3
InChIKeyRUHBDBBNEKMQQC-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.74
Rot. Bonds8

About N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine

N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (PubChem CID 66135620) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
PubChem CID66135620
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
SMILESCCn1cncc1CNCC(CC(C)C)N1CCOCC1
InChIInChI=1S/C16H30N4O/c1-4-19-13-18-12-16(19)11-17-10-15(9-14(2)3)20-5-7-21-8-6-20/h12-15,17H,4-11H2,1-3H3
InChIKeyRUHBDBBNEKMQQC-UHFFFAOYSA-N
XLogP1.74
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]morpholin-4-amine
CID 83008990
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111935967
N-[(4-bromophenyl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 43102123
4-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pentan-1-amine
CID 43205332
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111935966
N-[(5-bromofuran-2-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 43205308
N-[[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106302295
N-(2,2-dimethylpropyl)-4-methyl-2-morpholin-4-ylpentan-1-amine
CID 61325953
4-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 86808085
2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114129923
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
1-morpholin-4-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66129529

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine (CID 66135620) is N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is CCn1cncc1CNCC(CC(C)C)N1CCOCC1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
The InChIKey is RUHBDBBNEKMQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-4-19-13-18-12-16(19)11-17-10-15(9-14(2)3)20-5-7-21-8-6-20/h12-15,17H,4-11H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine?
N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-4-methyl-2-morpholin-4-ylpentan-1-amine is sourced from PubChem (CID 66135620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).