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

C16H30N4 — CID 114530416

IUPACN,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine
SMILESCNC(CCc1nccn1C)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H30N4/c1-16(2,20-11-6-5-7-12-20)14(17-3)8-9-15-18-10-13-19(15)4/h10,13-14,17H,5-9,11-12H2,1-4H3
InChIKeyBHIJAZBTFIKSFH-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.21
Rot. Bonds6

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

N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine (PubChem CID 114530416) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine
PubChem CID114530416
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine
SMILESCNC(CCc1nccn1C)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H30N4/c1-16(2,20-11-6-5-7-12-20)14(17-3)8-9-15-18-10-13-19(15)4/h10,13-14,17H,5-9,11-12H2,1-4H3
InChIKeyBHIJAZBTFIKSFH-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
CID 79761018
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine
CID 114530433
4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411
2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine
CID 114530408
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
4-ethyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylhexan-3-amine
CID 114530442
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
2-(azepan-1-yl)-N,2,6,6-tetramethylheptan-3-amine
CID 79052542
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
[4-methyl-1-(1-methylimidazol-2-yl)-4-morpholin-4-ylhexan-3-yl]hydrazine
CID 105241557
N,2-dimethyl-2-piperidin-1-ylheptan-3-amine
CID 79045929
[3-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105240426

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine?
The IUPAC name of N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine (CID 114530416) is N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine.
What is the SMILES notation for N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine?
The canonical SMILES for N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine is CNC(CCc1nccn1C)C(C)(C)N1CCCCC1.
What is the InChIKey of N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine?
The InChIKey is BHIJAZBTFIKSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-16(2,20-11-6-5-7-12-20)14(17-3)8-9-15-18-10-13-19(15)4/h10,13-14,17H,5-9,11-12H2,1-4H3.
What are the key properties of N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine?
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine has a molecular weight of 278.44 g/mol, XLogP of 2.21, 6 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-ylpentan-3-amine is sourced from PubChem (CID 114530416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).