4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine

C13H24N4O — CID 82558293

IUPAC4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
SMILESNCCCCn1ccnc1CCN1CCOCC1
InChIInChI=1S/C13H24N4O/c14-4-1-2-6-17-8-5-15-13(17)3-7-16-9-11-18-12-10-16/h5,8H,1-4,6-7,9-12,14H2
InChIKeyDXFVTDQJZRJHCV-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.50
Rot. Bonds7

About 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine

4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine (PubChem CID 82558293) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
PubChem CID82558293
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine
SMILESNCCCCn1ccnc1CCN1CCOCC1
InChIInChI=1S/C13H24N4O/c14-4-1-2-6-17-8-5-15-13(17)3-7-16-9-11-18-12-10-16/h5,8H,1-4,6-7,9-12,14H2
InChIKeyDXFVTDQJZRJHCV-UHFFFAOYSA-N
XLogP0.50
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid
CID 82560173
3-[2-(morpholin-4-ylmethyl)imidazol-1-yl]propan-1-ol
CID 91503690
2-[1-(2-morpholin-4-ylethyl)imidazol-2-yl]acetic acid
CID 69289077
7-morpholin-4-ylheptan-1-amine
CID 28596900
2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzenecarbothioamide
CID 82558301
ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
CID 167876752
hydrazine;5-morpholin-4-ylpentan-1-amine
CID 160561706
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
methyl 2-[[2-(2-morpholin-4-ylethyl)imidazol-1-yl]methyl]benzoate
CID 82561053
3-[2-[2-(dimethylamino)ethyl]imidazol-1-yl]propan-1-amine
CID 82557807
4-[3-[2-[(3-bromophenyl)methyl]imidazol-1-yl]propyl]morpholine
CID 82561888
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine?
The IUPAC name of 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine (CID 82558293) is 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine is NCCCCn1ccnc1CCN1CCOCC1.
What is the InChIKey of 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine?
The InChIKey is DXFVTDQJZRJHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c14-4-1-2-6-17-8-5-15-13(17)3-7-16-9-11-18-12-10-16/h5,8H,1-4,6-7,9-12,14H2.
What are the key properties of 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine?
4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]butan-1-amine is sourced from PubChem (CID 82558293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).