[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

C14H25N5O — CID 107498501

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cn(CCN)cn2)C1
InChIInChI=1S/C14H25N5O/c1-3-18(4-2)12-5-7-19(9-12)14(20)13-10-17(8-6-15)11-16-13/h10-12H,3-9,15H2,1-2H3
InChIKeyATAYUXZEMPDABV-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.40
Rot. Bonds6

About [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone

[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 107498501) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID107498501
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cn(CCN)cn2)C1
InChIInChI=1S/C14H25N5O/c1-3-18(4-2)12-5-7-19(9-12)14(20)13-10-17(8-6-15)11-16-13/h10-12H,3-9,15H2,1-2H3
InChIKeyATAYUXZEMPDABV-UHFFFAOYSA-N
XLogP0.40
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 107499858
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
CID 107497963
2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107499557
4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 107497233
[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63724060
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 107498657
[1-(2-aminoethyl)imidazol-4-yl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 107499533
[1-(2-aminoethyl)imidazol-4-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114172299
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158606
1-[1-(2-aminoethyl)imidazole-4-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 107498462
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
[1-(2-aminoethyl)imidazol-4-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107499846

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 107498501) is [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2cn(CCN)cn2)C1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is ATAYUXZEMPDABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-18(4-2)12-5-7-19(9-12)14(20)13-10-17(8-6-15)11-16-13/h10-12H,3-9,15H2,1-2H3.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone?
[1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 279.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 107498501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).