N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine

C15H28N4 — CID 119111188

IUPACN-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCN(C(CNCc2ncc[nH]2)C(C)C)CC1
InChIInChI=1S/C15H28N4/c1-12(2)14(19-8-4-13(3)5-9-19)10-16-11-15-17-6-7-18-15/h6-7,12-14,16H,4-5,8-11H2,1-3H3,(H,17,18)
InChIKeyMRUSZEXUNUFXSG-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.26
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine

N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine (PubChem CID 119111188) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
PubChem CID119111188
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCN(C(CNCc2ncc[nH]2)C(C)C)CC1
InChIInChI=1S/C15H28N4/c1-12(2)14(19-8-4-13(3)5-9-19)10-16-11-15-17-6-7-18-15/h6-7,12-14,16H,4-5,8-11H2,1-3H3,(H,17,18)
InChIKeyMRUSZEXUNUFXSG-UHFFFAOYSA-N
XLogP2.26
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine (CID 119111188) is N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine is CC1CCN(C(CNCc2ncc[nH]2)C(C)C)CC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is MRUSZEXUNUFXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)14(19-8-4-13(3)5-9-19)10-16-11-15-17-6-7-18-15/h6-7,12-14,16H,4-5,8-11H2,1-3H3,(H,17,18).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine?
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 119111188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).