N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine

C15H28N4 — CID 79761018

IUPACN,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
SMILESCNC(Cc1nccn1C)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H28N4/c1-15(2,19-9-6-5-7-10-19)13(16-3)12-14-17-8-11-18(14)4/h8,11,13,16H,5-7,9-10,12H2,1-4H3
InChIKeyMZYATJMJTDRTCY-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.82
Rot. Bonds5

About N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine

N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine (PubChem CID 79761018) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
PubChem CID79761018
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
SMILESCNC(Cc1nccn1C)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H28N4/c1-15(2,19-9-6-5-7-10-19)13(16-3)12-14-17-8-11-18(14)4/h8,11,13,16H,5-7,9-10,12H2,1-4H3
InChIKeyMZYATJMJTDRTCY-UHFFFAOYSA-N
XLogP1.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine
CID 114530416
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine
CID 114530433
N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)-3-morpholin-4-ylbutan-2-amine
CID 79762004
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426
N,3-dimethyl-3-piperidin-1-yl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 79052008
4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
N,3-dimethyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylbutan-2-amine
CID 107049800
3-(azepan-1-yl)-1-(5-bromothiophen-2-yl)-N,3-dimethylbutan-2-amine
CID 79052539
N-methyl-2-(1-methylimidazol-2-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 79751944
3-(azepan-1-yl)-1-(5-bromo-3-pyridinyl)-N,3-dimethylbutan-2-amine
CID 104802920

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine?
The IUPAC name of N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine (CID 79761018) is N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine?
The canonical SMILES for N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine is CNC(Cc1nccn1C)C(C)(C)N1CCCCC1.
What is the InChIKey of N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine?
The InChIKey is MZYATJMJTDRTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-15(2,19-9-6-5-7-10-19)13(16-3)12-14-17-8-11-18(14)4/h8,11,13,16H,5-7,9-10,12H2,1-4H3.
What are the key properties of N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine?
N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine has a molecular weight of 264.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine is sourced from PubChem (CID 79761018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).