N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine

C11H21N3O2 — CID 115608422

IUPACN-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNCc1ncc[nH]1
InChIInChI=1S/C11H21N3O2/c1-15-8-9-16-7-3-2-4-12-10-11-13-5-6-14-11/h5-6,12H,2-4,7-10H2,1H3,(H,13,14)
InChIKeyBZEUYPWOLIDJBO-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.94
Rot. Bonds10

About N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine

N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine (PubChem CID 115608422) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
PubChem CID115608422
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNCc1ncc[nH]1
InChIInChI=1S/C11H21N3O2/c1-15-8-9-16-7-3-2-4-12-10-11-13-5-6-14-11/h5-6,12H,2-4,7-10H2,1H3,(H,13,14)
InChIKeyBZEUYPWOLIDJBO-UHFFFAOYSA-N
XLogP0.94
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-yl)-N-(2-methoxyethoxy)methanamine
CID 82711516
3-[hydroxy(dimethoxy)silyl]-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 147408863
4-(1H-imidazol-2-ylmethylamino)butan-1-ol
CID 106840602
3-(1H-imidazol-2-ylmethylamino)propane-1-sulfonic acid
CID 82676006
N,N-diethyl-4-(1H-imidazol-2-ylmethylamino)butanamide
CID 119111442
4-(2-methoxyethoxy)-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 115600125
3-(furan-2-ylmethoxy)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 54976458
2-[4-(2-ethoxyethoxy)butyl]-1H-imidazole
CID 173264611
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103172731
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine (CID 115608422) is N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine is COCCOCCCCNCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine?
The InChIKey is BZEUYPWOLIDJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-15-8-9-16-7-3-2-4-12-10-11-13-5-6-14-11/h5-6,12H,2-4,7-10H2,1H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine?
N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 0.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 115608422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).