2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine

C15H28N4 — CID 63847439

IUPAC2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCn1ccnc1CN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C15H28N4/c1-15(2,3)17-10-13-6-5-8-19(11-13)12-14-16-7-9-18(14)4/h7,9,13,17H,5-6,8,10-12H2,1-4H3
InChIKeyKOTXAKBGHBGEIA-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.02
Rot. Bonds4

About 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine

2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63847439) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID63847439
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCn1ccnc1CN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C15H28N4/c1-15(2,3)17-10-13-6-5-8-19(11-13)12-14-16-7-9-18(14)4/h7,9,13,17H,5-6,8,10-12H2,1-4H3
InChIKeyKOTXAKBGHBGEIA-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
2-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]propanoic acid
CID 83197847
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
1-cyclopentyl-3-[2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
CID 56754673
1-cyclopentyl-3-[2-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95218100
2-methyl-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 103003270
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86791637
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408
1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
CID 95249817
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145917
6-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95154585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (CID 63847439) is 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is Cn1ccnc1CN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is KOTXAKBGHBGEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-15(2,3)17-10-13-6-5-8-19(11-13)12-14-16-7-9-18(14)4/h7,9,13,17H,5-6,8,10-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 264.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63847439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).