N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine

C14H25N3O — CID 114114899

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1cncn1C1CC1)C(C)C
InChIInChI=1S/C14H25N3O/c1-4-18-9-14(11(2)3)16-8-13-7-15-10-17(13)12-5-6-12/h7,10-12,14,16H,4-6,8-9H2,1-3H3
InChIKeyWAKXSDDWOSXEGW-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.37
Rot. Bonds8

About N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine (PubChem CID 114114899) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
PubChem CID114114899
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1cncn1C1CC1)C(C)C
InChIInChI=1S/C14H25N3O/c1-4-18-9-14(11(2)3)16-8-13-7-15-10-17(13)12-5-6-12/h7,10-12,14,16H,4-6,8-9H2,1-3H3
InChIKeyWAKXSDDWOSXEGW-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine (CID 114114899) is N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine is CCOCC(NCc1cncn1C1CC1)C(C)C.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine?
The InChIKey is WAKXSDDWOSXEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-18-9-14(11(2)3)16-8-13-7-15-10-17(13)12-5-6-12/h7,10-12,14,16H,4-6,8-9H2,1-3H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 114114899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).