N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine

C15H27N3O — CID 65171918

IUPACN-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1CCOCCC(C)C
InChIInChI=1S/C15H27N3O/c1-12(2)6-8-19-9-7-18-13(3)16-10-15(18)11-17-14-4-5-14/h10,12,14,17H,4-9,11H2,1-3H3
InChIKeySOPICKQOKPQKAN-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.51
Rot. Bonds9

About N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 65171918) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID65171918
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1CCOCCC(C)C
InChIInChI=1S/C15H27N3O/c1-12(2)6-8-19-9-7-18-13(3)16-10-15(18)11-17-14-4-5-14/h10,12,14,17H,4-9,11H2,1-3H3
InChIKeySOPICKQOKPQKAN-UHFFFAOYSA-N
XLogP2.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.51
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-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106458362
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[3-(3,3-dimethylbutyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171713
5-iodo-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 66340491
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275
2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172070
1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 104567631
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
N-[[3-(4,4-dimethylpent-2-ynyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 114190461
2-methyl-N-[[2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 65172339

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine (CID 65171918) is N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1ncc(CNC2CC2)n1CCOCCC(C)C.
What is the InChIKey of N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SOPICKQOKPQKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)6-8-19-9-7-18-13(3)16-10-15(18)11-17-14-4-5-14/h10,12,14,17H,4-9,11H2,1-3H3.
What are the key properties of N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 265.40 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65171918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).