N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine

C17H32N4 — CID 114530433

IUPACN,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine
SMILESCCC(C)(C(CCc1nccn1C)NC)N1CCCCC1
InChIInChI=1S/C17H32N4/c1-5-17(2,21-12-7-6-8-13-21)15(18-3)9-10-16-19-11-14-20(16)4/h11,14-15,18H,5-10,12-13H2,1-4H3
InChIKeyHOFRGOUYQJZUOX-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.60
Rot. Bonds7

About N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine

N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine (PubChem CID 114530433) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine
PubChem CID114530433
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine
SMILESCCC(C)(C(CCc1nccn1C)NC)N1CCCCC1
InChIInChI=1S/C17H32N4/c1-5-17(2,21-12-7-6-8-13-21)15(18-3)9-10-16-19-11-14-20(16)4/h11,14-15,18H,5-10,12-13H2,1-4H3
InChIKeyHOFRGOUYQJZUOX-UHFFFAOYSA-N
XLogP2.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.60
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
[4-methyl-1-(1-methylimidazol-2-yl)-4-morpholin-4-ylhexan-3-yl]hydrazine
CID 105241557
N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
CID 79761018
4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine
CID 114530442
2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine
CID 114530408
4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
3-methyl-3-piperidin-1-yl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79751932
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
N,3-dimethyl-1-(1-methylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79068880

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine?
The IUPAC name of N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine (CID 114530433) is N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine.
What is the SMILES notation for N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine?
The canonical SMILES for N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine is CCC(C)(C(CCc1nccn1C)NC)N1CCCCC1.
What is the InChIKey of N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine?
The InChIKey is HOFRGOUYQJZUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-17(2,21-12-7-6-8-13-21)15(18-3)9-10-16-19-11-14-20(16)4/h11,14-15,18H,5-10,12-13H2,1-4H3.
What are the key properties of N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine?
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine has a molecular weight of 292.47 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine is sourced from PubChem (CID 114530433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).