N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine

C15H28N4 — CID 114528223

IUPACN-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CCc1nccn1C
InChIInChI=1S/C15H28N4/c1-3-8-16-13-14-6-4-5-10-19(14)11-7-15-17-9-12-18(15)2/h9,12,14,16H,3-8,10-11,13H2,1-2H3
InChIKeyAPCKSEGEUUMRLR-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.82
Rot. Bonds7

About N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine

N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine (PubChem CID 114528223) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine
PubChem CID114528223
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CCc1nccn1C
InChIInChI=1S/C15H28N4/c1-3-8-16-13-14-6-4-5-10-19(14)11-7-15-17-9-12-18(15)2/h9,12,14,16H,3-8,10-11,13H2,1-2H3
InChIKeyAPCKSEGEUUMRLR-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 63853569
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
2-methyl-4-[2-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79355208
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine (CID 114528223) is N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1CCc1nccn1C.
What is the InChIKey of N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is APCKSEGEUUMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-8-16-13-14-6-4-5-10-19(14)11-7-15-17-9-12-18(15)2/h9,12,14,16H,3-8,10-11,13H2,1-2H3.
What are the key properties of N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine?
N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 114528223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).