2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine

C15H29N5 — CID 62437588

IUPAC2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC1CCCN(CCn2cc(CNC(C)(C)C)nn2)C1
InChIInChI=1S/C15H29N5/c1-13-6-5-7-19(11-13)8-9-20-12-14(17-18-20)10-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyCYOOSAGQMITCQJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62437588) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62437588
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC1CCCN(CCn2cc(CNC(C)(C)C)nn2)C1
InChIInChI=1S/C15H29N5/c1-13-6-5-7-19(11-13)8-9-20-12-14(17-18-20)10-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyCYOOSAGQMITCQJ-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
N-methyl-1-[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62427489
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438334
N-[[1-[2-(3-methylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62427490
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62440226
N-[[1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62431810
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
1-[1-[2-(4-tert-butylpiperidin-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62411775
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
2-methyl-N-[[5-[(3-methylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62439446
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
N,N-dimethyl-1-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pyrrolidin-3-amine
CID 63166913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62437588) is 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is CC1CCCN(CCn2cc(CNC(C)(C)C)nn2)C1.
What is the InChIKey of 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is CYOOSAGQMITCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-13-6-5-7-19(11-13)8-9-20-12-14(17-18-20)10-16-15(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62437588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).