N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine

C22H33N5 — CID 72894013

IUPACN,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccnc1C1CCN(c2ccc3c(n2)CCCC3)CC1
InChIInChI=1S/C22H33N5/c1-25(2)13-5-14-27-17-12-23-22(27)19-10-15-26(16-11-19)21-9-8-18-6-3-4-7-20(18)24-21/h8-9,12,17,19H,3-7,10-11,13-16H2,1-2H3
InChIKeyQHTQFOJYVXEOBY-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.49
Rot. Bonds6

About N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine

N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine (PubChem CID 72894013) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine
PubChem CID72894013
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC NameN,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccnc1C1CCN(c2ccc3c(n2)CCCC3)CC1
InChIInChI=1S/C22H33N5/c1-25(2)13-5-14-27-17-12-23-22(27)19-10-15-26(16-11-19)21-9-8-18-6-3-4-7-20(18)24-21/h8-9,12,17,19H,3-7,10-11,13-16H2,1-2H3
InChIKeyQHTQFOJYVXEOBY-UHFFFAOYSA-N
XLogP3.49
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine (CID 72894013) is N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine is CN(C)CCCn1ccnc1C1CCN(c2ccc3c(n2)CCCC3)CC1.
What is the InChIKey of N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine?
The InChIKey is QHTQFOJYVXEOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-25(2)13-5-14-27-17-12-23-22(27)19-10-15-26(16-11-19)21-9-8-18-6-3-4-7-20(18)24-21/h8-9,12,17,19H,3-7,10-11,13-16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine has a molecular weight of 367.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[1-(5,6,7,8-tetrahydroquinolin-2-yl)piperidin-4-yl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 72894013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).