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

C14H25N3O — CID 106458362

IUPACN-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1CCOCC(C)C
InChIInChI=1S/C14H25N3O/c1-11(2)10-18-7-6-17-12(3)15-8-14(17)9-16-13-4-5-13/h8,11,13,16H,4-7,9-10H2,1-3H3
InChIKeyNOFJQVSZFQIXLC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.12
Rot. Bonds8

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

N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 106458362) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID106458362
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1CCOCC(C)C
InChIInChI=1S/C14H25N3O/c1-11(2)10-18-7-6-17-12(3)15-8-14(17)9-16-13-4-5-13/h8,11,13,16H,4-7,9-10H2,1-3H3
InChIKeyNOFJQVSZFQIXLC-UHFFFAOYSA-N
XLogP2.12
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.12
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-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65171918
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
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275
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
1-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 104567631
N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172224
N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 65173082
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171718

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine (CID 106458362) is N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1ncc(CNC2CC2)n1CCOCC(C)C.
What is the InChIKey of N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NOFJQVSZFQIXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)10-18-7-6-17-12(3)15-8-14(17)9-16-13-4-5-13/h8,11,13,16H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 251.37 g/mol, XLogP of 2.12, 8 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-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106458362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).