1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

C13H22N6 — CID 86807854

IUPAC1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1cn(C(C)(C)C)nn1)Cc1nccn1C
InChIInChI=1S/C13H22N6/c1-13(2,3)19-9-11(15-16-19)8-17(4)10-12-14-6-7-18(12)5/h6-7,9H,8,10H2,1-5H3
InChIKeyMVDROQAWGNBVAF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.40
Rot. Bonds4

About 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 86807854) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID86807854
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1cn(C(C)(C)C)nn1)Cc1nccn1C
InChIInChI=1S/C13H22N6/c1-13(2,3)19-9-11(15-16-19)8-17(4)10-12-14-6-7-18(12)5/h6-7,9H,8,10H2,1-5H3
InChIKeyMVDROQAWGNBVAF-UHFFFAOYSA-N
XLogP1.40
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-propyltetrazol-5-yl)methyl]methanamine
CID 71943990
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607364
1-(4-bromo-2-fluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60695988
1-(4-hydrazinyl-2-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 79259558
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 86807854) is 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is CN(Cc1cn(C(C)(C)C)nn1)Cc1nccn1C.
What is the InChIKey of 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is MVDROQAWGNBVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-13(2,3)19-9-11(15-16-19)8-17(4)10-12-14-6-7-18(12)5/h6-7,9H,8,10H2,1-5H3.
What are the key properties of 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 262.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 86807854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).