N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

C15H28N4 — CID 62587780

IUPACN-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1ccnc1N1CCCC(CNCC(C)C)C1
InChIInChI=1S/C15H28N4/c1-4-18-9-7-17-15(18)19-8-5-6-14(12-19)11-16-10-13(2)3/h7,9,13-14,16H,4-6,8,10-12H2,1-3H3
InChIKeySBNNHHBBQFHLET-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.37
Rot. Bonds6

About N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62587780) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62587780
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCn1ccnc1N1CCCC(CNCC(C)C)C1
InChIInChI=1S/C15H28N4/c1-4-18-9-7-17-15(18)19-8-5-6-14(12-19)11-16-10-13(2)3/h7,9,13-14,16H,4-6,8,10-12H2,1-3H3
InChIKeySBNNHHBBQFHLET-UHFFFAOYSA-N
XLogP2.37
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
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-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine (CID 62587780) is N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is CCn1ccnc1N1CCCC(CNCC(C)C)C1.
What is the InChIKey of N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SBNNHHBBQFHLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-18-9-7-17-15(18)19-8-5-6-14(12-19)11-16-10-13(2)3/h7,9,13-14,16H,4-6,8,10-12H2,1-3H3.
What are the key properties of N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-ethylimidazol-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62587780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).