(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine

C14H25BrN4 — CID 106462514

IUPAC(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine
SMILESCn1nnc(Br)c1C(N)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H25BrN4/c1-14(2,3)10-7-5-9(6-8-10)11(16)12-13(15)17-18-19(12)4/h9-11H,5-8,16H2,1-4H3
InChIKeyBFCFMKYYKFGBBE-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.43
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine

(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine (PubChem CID 106462514) has the molecular formula C14H25BrN4 and a molecular weight of 329.29 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine
PubChem CID106462514
Molecular FormulaC14H25BrN4
Molecular Weight329.29 g/mol
Exact Mass328.13
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine
SMILESCn1nnc(Br)c1C(N)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H25BrN4/c1-14(2,3)10-7-5-9(6-8-10)11(16)12-13(15)17-18-19(12)4/h9-11H,5-8,16H2,1-4H3
InChIKeyBFCFMKYYKFGBBE-UHFFFAOYSA-N
XLogP3.43
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464960
7-bicyclo[4.1.0]heptanyl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464579
(5-bromo-3-methyltriazol-4-yl)-(2,2-dimethylcyclopropyl)methanamine
CID 107005213
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
[(5-bromo-3-methyltriazol-4-yl)-cyclooctylmethyl]hydrazine
CID 106466142
1-(5-bromo-3-methyltriazol-4-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106462639
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114655573
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylphenyl)methanamine
CID 106465277
(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 65402562

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine (CID 106462514) is (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine is Cn1nnc(Br)c1C(N)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine?
The InChIKey is BFCFMKYYKFGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4/c1-14(2,3)10-7-5-9(6-8-10)11(16)12-13(15)17-18-19(12)4/h9-11H,5-8,16H2,1-4H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine?
(5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine has a molecular weight of 329.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(4-tert-butylcyclohexyl)methanamine is sourced from PubChem (CID 106462514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).