N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine

C13H24N4 — CID 114899121

IUPACN-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine
SMILESCC(CNC1CCC1)Cc1ncnn1C(C)C
InChIInChI=1S/C13H24N4/c1-10(2)17-13(15-9-16-17)7-11(3)8-14-12-5-4-6-12/h9-12,14H,4-8H2,1-3H3
InChIKeyWRPBGNMXIMOMOQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.18
Rot. Bonds6

About N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine

N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine (PubChem CID 114899121) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine
PubChem CID114899121
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine
SMILESCC(CNC1CCC1)Cc1ncnn1C(C)C
InChIInChI=1S/C13H24N4/c1-10(2)17-13(15-9-16-17)7-11(3)8-14-12-5-4-6-12/h9-12,14H,4-8H2,1-3H3
InChIKeyWRPBGNMXIMOMOQ-UHFFFAOYSA-N
XLogP2.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 103168954
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
4-(cyclopropylamino)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 116559456
2-methyl-N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81026838
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999743
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
CID 81010403
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81009190
[1-(oxolan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105229160
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
2-(chloromethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 114179284

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine?
The IUPAC name of N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine (CID 114899121) is N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine.
What is the SMILES notation for N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine?
The canonical SMILES for N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine is CC(CNC1CCC1)Cc1ncnn1C(C)C.
What is the InChIKey of N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine?
The InChIKey is WRPBGNMXIMOMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)17-13(15-9-16-17)7-11(3)8-14-12-5-4-6-12/h9-12,14H,4-8H2,1-3H3.
What are the key properties of N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine?
N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine has a molecular weight of 236.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine is sourced from PubChem (CID 114899121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).