N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine

C16H23N5 — CID 154764649

IUPACN,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESCN(C)CC1CCc2ccccc2N1Cc1cn(C)nn1
InChIInChI=1S/C16H23N5/c1-19(2)12-15-9-8-13-6-4-5-7-16(13)21(15)11-14-10-20(3)18-17-14/h4-7,10,15H,8-9,11-12H2,1-3H3
InChIKeyMPTLUHRTMOMUNU-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.70
Rot. Bonds4

About N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine

N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine (PubChem CID 154764649) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
PubChem CID154764649
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESCN(C)CC1CCc2ccccc2N1Cc1cn(C)nn1
InChIInChI=1S/C16H23N5/c1-19(2)12-15-9-8-13-6-4-5-7-16(13)21(15)11-14-10-20(3)18-17-14/h4-7,10,15H,8-9,11-12H2,1-3H3
InChIKeyMPTLUHRTMOMUNU-UHFFFAOYSA-N
XLogP1.70
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine (CID 154764649) is N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine is CN(C)CC1CCc2ccccc2N1Cc1cn(C)nn1.
What is the InChIKey of N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The InChIKey is MPTLUHRTMOMUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-19(2)12-15-9-8-13-6-4-5-7-16(13)21(15)11-14-10-20(3)18-17-14/h4-7,10,15H,8-9,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine?
N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[(1-methyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-2-yl]methanamine is sourced from PubChem (CID 154764649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).