N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine

C11H20N4 — CID 66193655

IUPACN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(CC2CC2)nn1
InChIInChI=1S/C11H20N4/c1-11(2,3)12-6-10-8-15(14-13-10)7-9-4-5-9/h8-9,12H,4-7H2,1-3H3
InChIKeyNKLQTQZVULZZTN-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.58
Rot. Bonds4

About N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66193655) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66193655
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(CC2CC2)nn1
InChIInChI=1S/C11H20N4/c1-11(2,3)12-6-10-8-15(14-13-10)7-9-4-5-9/h8-9,12H,4-7H2,1-3H3
InChIKeyNKLQTQZVULZZTN-UHFFFAOYSA-N
XLogP1.58
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(oxan-4-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194002
2-methyl-N-[[1-[(4-methylmorpholin-2-yl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 79183117
N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62428805
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
2-methyl-N-[[1-(oxolan-3-ylmethyl)triazol-4-yl]methyl]butan-2-amine
CID 155896654
N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62485269
2-methyl-N-[[1-[[(3S)-oxolan-3-yl]methyl]triazol-4-yl]methyl]butan-2-amine
CID 125457580
1-[4-[(tert-butylamino)methyl]triazol-1-yl]propan-2-ol
CID 66193423
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62440226

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66193655) is N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn(CC2CC2)nn1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NKLQTQZVULZZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2,3)12-6-10-8-15(14-13-10)7-9-4-5-9/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66193655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).