1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine

C15H28N4 — CID 62350120

IUPAC1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2nccn2CC)CC1
InChIInChI=1S/C15H28N4/c1-3-5-9-18-10-6-14(7-11-18)17-13-15-16-8-12-19(15)4-2/h8,12,14,17H,3-7,9-11,13H2,1-2H3
InChIKeyWORAYSKTMUATFK-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.26
Rot. Bonds7

About 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine

1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine (PubChem CID 62350120) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
PubChem CID62350120
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
SMILESCCCCN1CCC(NCc2nccn2CC)CC1
InChIInChI=1S/C15H28N4/c1-3-5-9-18-10-6-14(7-11-18)17-13-15-16-8-12-19(15)4-2/h8,12,14,17H,3-7,9-11,13H2,1-2H3
InChIKeyWORAYSKTMUATFK-UHFFFAOYSA-N
XLogP2.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
N-[(1-octylimidazol-2-yl)methyl]cyclopropanamine
CID 55048995
1-butyl-N-[(1-ethylpyrrol-2-yl)methyl]piperidin-4-amine
CID 66412732
N-[(1-ethylimidazol-2-yl)methyl]thian-4-amine
CID 115641638
1-benzyl-N-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62357775
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
N-[(1-ethylimidazol-2-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471784
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
N-[(1-ethylimidazol-2-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112568401
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
5-[(1-ethylimidazol-2-yl)methylamino]piperidin-2-one
CID 63661533

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine (CID 62350120) is 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine is CCCCN1CCC(NCc2nccn2CC)CC1.
What is the InChIKey of 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is WORAYSKTMUATFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-5-9-18-10-6-14(7-11-18)17-13-15-16-8-12-19(15)4-2/h8,12,14,17H,3-7,9-11,13H2,1-2H3.
What are the key properties of 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine?
1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 264.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 62350120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).