N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine

C13H24N4 — CID 107972077

IUPACN-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCn1cnc(CNCCCN2CCCCC2)c1
InChIInChI=1S/C13H24N4/c1-16-11-13(15-12-16)10-14-6-5-9-17-7-3-2-4-8-17/h11-12,14H,2-10H2,1H3
InChIKeyKYFWIODDMQVCNY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.39
Rot. Bonds6

About N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 107972077) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID107972077
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESCn1cnc(CNCCCN2CCCCC2)c1
InChIInChI=1S/C13H24N4/c1-16-11-13(15-12-16)10-14-6-5-9-17-7-3-2-4-8-17/h11-12,14H,2-10H2,1H3
InChIKeyKYFWIODDMQVCNY-UHFFFAOYSA-N
XLogP1.39
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.39
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

N-[(5-methylpyrazin-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112700188
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
N-[(1-methylimidazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 107971995
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 112549208
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 83083255
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106372168
N-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
3-pyrrolidin-1-yl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103437796
3-piperidin-1-yl-N-(pyridazin-4-ylmethyl)propan-1-amine
CID 113439259
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 78913138

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 107972077) is N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine is Cn1cnc(CNCCCN2CCCCC2)c1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is KYFWIODDMQVCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16-11-13(15-12-16)10-14-6-5-9-17-7-3-2-4-8-17/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 107972077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).