1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine

C12H21N3O — CID 106564758

IUPAC1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1C1CC1(C)C
InChIInChI=1S/C12H21N3O/c1-12(2)9-10(12)15-7-6-14-11(15)13-5-4-8-16-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeyWCKMZIMWIFCNHX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds6

About 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine

1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106564758) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106564758
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1C1CC1(C)C
InChIInChI=1S/C12H21N3O/c1-12(2)9-10(12)15-7-6-14-11(15)13-5-4-8-16-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,13,14)
InChIKeyWCKMZIMWIFCNHX-UHFFFAOYSA-N
XLogP2.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
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

1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564767
1-(3,4-dimethylcyclohexyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106574608
N-(3-methoxypropyl)-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571770
1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578750
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
N-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561605
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
1-(2-bicyclo[2.2.1]heptanylmethyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106572492
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine (CID 106564758) is 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is WCKMZIMWIFCNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-12(2)9-10(12)15-7-6-14-11(15)13-5-4-8-16-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,13,14).
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine?
1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106564758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).