N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine

C17H32N4 — CID 43749574

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C17H32N4/c1-13-10-20(6)14(2)9-15(13)19-16(17(3,4)5)11-21-8-7-18-12-21/h7-8,12-16,19H,9-11H2,1-6H3
InChIKeyQZAPMVOZNISLCO-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.62
Rot. Bonds4

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43749574) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43749574
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C17H32N4/c1-13-10-20(6)14(2)9-15(13)19-16(17(3,4)5)11-21-8-7-18-12-21/h7-8,12-16,19H,9-11H2,1-6H3
InChIKeyQZAPMVOZNISLCO-UHFFFAOYSA-N
XLogP2.62
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine
CID 43749491
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
CID 104859696
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyloxolan-3-amine
CID 113289616
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853293
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65044347
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
CID 43749450
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-5-methylhexan-2-amine
CID 43749519
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
N'-tert-butyl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)ethane-1,2-diamine
CID 107445275

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine (CID 43749574) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is QZAPMVOZNISLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-13-10-20(6)14(2)9-15(13)19-16(17(3,4)5)11-21-8-7-18-12-21/h7-8,12-16,19H,9-11H2,1-6H3.
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 292.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43749574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).