N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine

C17H29N7 — CID 70757231

IUPACN,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine
SMILESCN(C)CC(C)(C)Cn1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H29N7/c1-17(2,12-22(3)4)13-23-10-9-19-16(23)15-11-24(21-20-15)14-5-7-18-8-6-14/h9-11,14,18H,5-8,12-13H2,1-4H3
InChIKeyNPIUKHSAERUSLT-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.65
Rot. Bonds6

About N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine

N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine (PubChem CID 70757231) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine
PubChem CID70757231
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC NameN,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine
SMILESCN(C)CC(C)(C)Cn1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H29N7/c1-17(2,12-22(3)4)13-23-10-9-19-16(23)15-11-24(21-20-15)14-5-7-18-8-6-14/h9-11,14,18H,5-8,12-13H2,1-4H3
InChIKeyNPIUKHSAERUSLT-UHFFFAOYSA-N
XLogP1.65
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine (CID 70757231) is N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine is CN(C)CC(C)(C)Cn1ccnc1-c1cn(C2CCNCC2)nn1.
What is the InChIKey of N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine?
The InChIKey is NPIUKHSAERUSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-17(2,12-22(3)4)13-23-10-9-19-16(23)15-11-24(21-20-15)14-5-7-18-8-6-14/h9-11,14,18H,5-8,12-13H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine?
N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine has a molecular weight of 331.47 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-3-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 70757231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).