N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine

C13H26N6 — CID 81469711

IUPACN,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
SMILESCNCc1cn(CCN2CC(C)C(N(C)C)C2)nn1
InChIInChI=1S/C13H26N6/c1-11-8-18(10-13(11)17(3)4)5-6-19-9-12(7-14-2)15-16-19/h9,11,13-14H,5-8,10H2,1-4H3
InChIKeyOFCUXXRNDDFHJJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.12
Rot. Bonds6

About N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine (PubChem CID 81469711) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
PubChem CID81469711
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC NameN,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
SMILESCNCc1cn(CCN2CC(C)C(N(C)C)C2)nn1
InChIInChI=1S/C13H26N6/c1-11-8-18(10-13(11)17(3)4)5-6-19-9-12(7-14-2)15-16-19/h9,11,13-14H,5-8,10H2,1-4H3
InChIKeyOFCUXXRNDDFHJJ-UHFFFAOYSA-N
XLogP-0.12
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 63166913
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62427489
N,N-dimethyl-1-[1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]methanamine
CID 62430426
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
1-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62411775
N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
CID 62462234
1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62421335
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065
1-[1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]-N-methylmethanamine
CID 63979109
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438334
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine (CID 81469711) is N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine is CNCc1cn(CCN2CC(C)C(N(C)C)C2)nn1.
What is the InChIKey of N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine?
The InChIKey is OFCUXXRNDDFHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-11-8-18(10-13(11)17(3)4)5-6-19-9-12(7-14-2)15-16-19/h9,11,13-14H,5-8,10H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81469711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).