N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine

C11H21N3O — CID 106554823

IUPACN-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
SMILESCCOCCCNc1nccn1C(C)C
InChIInChI=1S/C11H21N3O/c1-4-15-9-5-6-12-11-13-7-8-14(11)10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,12,13)
InChIKeyJTZLFKMHZKVDMC-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.30
Rot. Bonds7

About N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine

N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106554823) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106554823
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
SMILESCCOCCCNc1nccn1C(C)C
InChIInChI=1S/C11H21N3O/c1-4-15-9-5-6-12-11-13-7-8-14(11)10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,12,13)
InChIKeyJTZLFKMHZKVDMC-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234
N-(2-butoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106568337
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106571263
N-(3-ethoxypropyl)-1-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561960
N-(3-ethoxypropyl)-1-[1-(oxolan-3-yl)ethyl]imidazol-2-amine
CID 106582627
N-(3-ethoxypropyl)-1-[1-(oxolan-2-yl)ethyl]imidazol-2-amine
CID 106562068
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
1-propan-2-yl-N-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581608
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578245
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-(3-methylsulfanylpropyl)-1-propan-2-ylimidazol-2-amine
CID 106573657
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine (CID 106554823) is N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine is CCOCCCNc1nccn1C(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is JTZLFKMHZKVDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-15-9-5-6-12-11-13-7-8-14(11)10(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,12,13).
What are the key properties of N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine?
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106554823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).