N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine

C15H29N3O — CID 106572234

IUPACN-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C(C)C(CC)CC
InChIInChI=1S/C15H29N3O/c1-5-14(6-2)13(4)18-11-10-17-15(18)16-9-8-12-19-7-3/h10-11,13-14H,5-9,12H2,1-4H3,(H,16,17)
InChIKeyTWDPKGKEFKYKQS-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.72
Rot. Bonds10

About N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine

N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine (PubChem CID 106572234) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
PubChem CID106572234
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
SMILESCCOCCCNc1nccn1C(C)C(CC)CC
InChIInChI=1S/C15H29N3O/c1-5-14(6-2)13(4)18-11-10-17-15(18)16-9-8-12-19-7-3/h10-11,13-14H,5-9,12H2,1-4H3,(H,16,17)
InChIKeyTWDPKGKEFKYKQS-UHFFFAOYSA-N
XLogP3.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.72
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-propan-2-ylimidazol-2-amine
CID 106554823
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-butoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106568337
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578245
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
1-(3-ethoxypropyl)-N-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572232
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106557243

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine (CID 106572234) is N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine is CCOCCCNc1nccn1C(C)C(CC)CC.
What is the InChIKey of N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine?
The InChIKey is TWDPKGKEFKYKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-14(6-2)13(4)18-11-10-17-15(18)16-9-8-12-19-7-3/h10-11,13-14H,5-9,12H2,1-4H3,(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine?
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106572234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).