N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine

C14H25N3OS — CID 106578191

IUPACN-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCNc1nccn1CC1(C)CCCS1
InChIInChI=1S/C14H25N3OS/c1-3-18-10-5-7-15-13-16-8-9-17(13)12-14(2)6-4-11-19-14/h8-9H,3-7,10-12H2,1-2H3,(H,15,16)
InChIKeyCSDUNJVCFSEMDT-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.01
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine

N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine (PubChem CID 106578191) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
PubChem CID106578191
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
SMILESCCOCCCNc1nccn1CC1(C)CCCS1
InChIInChI=1S/C14H25N3OS/c1-3-18-10-5-7-15-13-16-8-9-17(13)12-14(2)6-4-11-19-14/h8-9H,3-7,10-12H2,1-2H3,(H,15,16)
InChIKeyCSDUNJVCFSEMDT-UHFFFAOYSA-N
XLogP3.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.01
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

N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578245
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
N-(3-ethoxypropyl)-1-[2-(3-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574360
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106578003
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine (CID 106578191) is N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine is CCOCCCNc1nccn1CC1(C)CCCS1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
The InChIKey is CSDUNJVCFSEMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-3-18-10-5-7-15-13-16-8-9-17(13)12-14(2)6-4-11-19-14/h8-9H,3-7,10-12H2,1-2H3,(H,15,16).
What are the key properties of N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine?
N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine has a molecular weight of 283.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106578191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).