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

C10H19N3O — CID 106554826

IUPAC1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
SMILESCOCCCn1ccnc1NC(C)C
InChIInChI=1S/C10H19N3O/c1-9(2)12-10-11-5-7-13(10)6-4-8-14-3/h5,7,9H,4,6,8H2,1-3H3,(H,11,12)
InChIKeySRGPVSINNFMFSO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.74
Rot. Bonds6

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

1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106554826) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
PubChem CID106554826
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
SMILESCOCCCn1ccnc1NC(C)C
InChIInChI=1S/C10H19N3O/c1-9(2)12-10-11-5-7-13(10)6-4-8-14-3/h5,7,9H,4,6,8H2,1-3H3,(H,11,12)
InChIKeySRGPVSINNFMFSO-UHFFFAOYSA-N
XLogP1.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.74
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

1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
1-(3-methoxypropyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106570013
1-(3-methoxypropyl)-N-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561963
1-(2-butoxyethyl)-N-propan-2-ylimidazol-2-amine
CID 106568327
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561717
1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580522
N-(1-methoxypropan-2-yl)-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572044
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
1-(3-methoxypropyl)-N-(2-methylcyclopropyl)imidazol-2-amine
CID 106571163
1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106555590
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine (CID 106554826) is 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine is COCCCn1ccnc1NC(C)C.
What is the InChIKey of 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is SRGPVSINNFMFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)12-10-11-5-7-13(10)6-4-8-14-3/h5,7,9H,4,6,8H2,1-3H3,(H,11,12).
What are the key properties of 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine?
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106554826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).