N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine

C13H25N3 — CID 116883014

IUPACN,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCNCC(c1ncc(CC(C)C)[nH]1)C(C)C
InChIInChI=1S/C13H25N3/c1-9(2)6-11-7-15-13(16-11)12(8-14-5)10(3)4/h7,9-10,12,14H,6,8H2,1-5H3,(H,15,16)
InChIKeyOZSDVLHQYCMMGU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.57
Rot. Bonds6

About N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine

N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 116883014) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID116883014
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCNCC(c1ncc(CC(C)C)[nH]1)C(C)C
InChIInChI=1S/C13H25N3/c1-9(2)6-11-7-15-13(16-11)12(8-14-5)10(3)4/h7,9-10,12,14H,6,8H2,1-5H3,(H,15,16)
InChIKeyOZSDVLHQYCMMGU-UHFFFAOYSA-N
XLogP2.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine (CID 116883014) is N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine is CNCC(c1ncc(CC(C)C)[nH]1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is OZSDVLHQYCMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-9(2)6-11-7-15-13(16-11)12(8-14-5)10(3)4/h7,9-10,12,14H,6,8H2,1-5H3,(H,15,16).
What are the key properties of N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine?
N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[5-(2-methylpropyl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 116883014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).