1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine

C14H24N4 — CID 105043775

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)C1CCC2CCCCC2C1
InChIInChI=1S/C14H24N4/c1-18-13(9-16-17-18)14(15)12-7-6-10-4-2-3-5-11(10)8-12/h9-12,14H,2-8,15H2,1H3
InChIKeyBQLIZFPGZYAWEO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds2

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine (PubChem CID 105043775) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine
PubChem CID105043775
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine
SMILESCn1nncc1C(N)C1CCC2CCCCC2C1
InChIInChI=1S/C14H24N4/c1-18-13(9-16-17-18)14(15)12-7-6-10-4-2-3-5-11(10)8-12/h9-12,14H,2-8,15H2,1H3
InChIKeyBQLIZFPGZYAWEO-UHFFFAOYSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanamine
CID 114687447
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464960
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-chloro-1-ethylpyrazol-5-yl)methanamine
CID 105040816
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
[(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105210538
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanol
CID 114686755
2-cyclopentyl-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 105043854
(4-methylcyclohexyl)-(3-methyltriazol-4-yl)methanol
CID 114685116
6-bicyclo[3.1.0]hexanyl-(3-methyltriazol-4-yl)methanol
CID 115835967
1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol
CID 105128683

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine (CID 105043775) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine is Cn1nncc1C(N)C1CCC2CCCCC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine?
The InChIKey is BQLIZFPGZYAWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-18-13(9-16-17-18)14(15)12-7-6-10-4-2-3-5-11(10)8-12/h9-12,14H,2-8,15H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine has a molecular weight of 248.37 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 105043775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).