[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine

C14H26N4 — CID 81010403

IUPAC[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
SMILESCC(C)n1ncnc1CC1CCCCCC1CN
InChIInChI=1S/C14H26N4/c1-11(2)18-14(16-10-17-18)8-12-6-4-3-5-7-13(12)9-15/h10-13H,3-9,15H2,1-2H3
InChIKeyAJMUNODEHQXACX-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.56
Rot. Bonds4

About [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine

[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine (PubChem CID 81010403) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
PubChem CID81010403
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
SMILESCC(C)n1ncnc1CC1CCCCCC1CN
InChIInChI=1S/C14H26N4/c1-11(2)18-14(16-10-17-18)8-12-6-4-3-5-7-13(12)9-15/h10-13H,3-9,15H2,1-2H3
InChIKeyAJMUNODEHQXACX-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81010248
2-methyl-N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81026838
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81009190
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154
2-(chloromethyl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 114179284
N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81016803
4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-one
CID 83261342
N-[2-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]cyclobutanamine
CID 114899121
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961
N-[[2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035056
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

Frequently Asked Questions

What is the IUPAC name of [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine?
The IUPAC name of [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine (CID 81010403) is [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine.
What is the SMILES notation for [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine?
The canonical SMILES for [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine is CC(C)n1ncnc1CC1CCCCCC1CN.
What is the InChIKey of [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine?
The InChIKey is AJMUNODEHQXACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)18-14(16-10-17-18)8-12-6-4-3-5-7-13(12)9-15/h10-13H,3-9,15H2,1-2H3.
What are the key properties of [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine?
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine is sourced from PubChem (CID 81010403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).