1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine

C13H23N3OS — CID 106576791

IUPAC1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NCC1CCCS1
InChIInChI=1S/C13H23N3OS/c1-2-17-9-4-7-16-8-6-14-13(16)15-11-12-5-3-10-18-12/h6,8,12H,2-5,7,9-11H2,1H3,(H,14,15)
InChIKeyNACVAMFCQRFRHI-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.62
Rot. Bonds8

About 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine

1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106576791) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
PubChem CID106576791
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NCC1CCCS1
InChIInChI=1S/C13H23N3OS/c1-2-17-9-4-7-16-8-6-14-13(16)15-11-12-5-3-10-18-12/h6,8,12H,2-5,7,9-11H2,1H3,(H,14,15)
InChIKeyNACVAMFCQRFRHI-UHFFFAOYSA-N
XLogP2.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.62
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

1-(3-ethoxypropyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazol-2-amine
CID 106559623
1-(3-ethoxypropyl)-N-(oxan-3-ylmethyl)imidazol-2-amine
CID 106566033
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576782
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
N-propyl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576814
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
N-(2-methoxyethyl)-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576813
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-butyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577111

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine (CID 106576791) is 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine is CCOCCCn1ccnc1NCC1CCCS1.
What is the InChIKey of 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is NACVAMFCQRFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-2-17-9-4-7-16-8-6-14-13(16)15-11-12-5-3-10-18-12/h6,8,12H,2-5,7,9-11H2,1H3,(H,14,15).
What are the key properties of 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine?
1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106576791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).