N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine

C14H27N5 — CID 103503296

IUPACN-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCN2CCC(C(C)C)CC2)nn1
InChIInChI=1S/C14H27N5/c1-12(2)13-4-6-18(7-5-13)8-9-19-11-14(10-15-3)16-17-19/h11-13,15H,4-10H2,1-3H3
InChIKeyWWFMHXOFWZQDDK-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.37
Rot. Bonds6

About N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine

N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 103503296) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
PubChem CID103503296
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCN2CCC(C(C)C)CC2)nn1
InChIInChI=1S/C14H27N5/c1-12(2)13-4-6-18(7-5-13)8-9-19-11-14(10-15-3)16-17-19/h11-13,15H,4-10H2,1-3H3
InChIKeyWWFMHXOFWZQDDK-UHFFFAOYSA-N
XLogP1.37
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62411775
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
1-[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62421335
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
1-[1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]triazol-4-yl]-N-methylmethanamine
CID 63979109
N,N-dimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 63166913
ethane;4-propan-2-yl-1-[(1-propyltriazol-4-yl)methyl]piperidine
CID 176984725
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421519
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62412244

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine (CID 103503296) is N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine is CNCc1cn(CCN2CCC(C(C)C)CC2)nn1.
What is the InChIKey of N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is WWFMHXOFWZQDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-12(2)13-4-6-18(7-5-13)8-9-19-11-14(10-15-3)16-17-19/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 265.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 103503296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).