N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine

C16H30N4O — CID 50961413

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1nncn1C1CCCCC1
InChIInChI=1S/C16H30N4O/c1-13(10-16(2,3)21-4)17-11-15-19-18-12-20(15)14-8-6-5-7-9-14/h12-14,17H,5-11H2,1-4H3
InChIKeyNSEGXJUFPQNEMD-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.08
Rot. Bonds7

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 50961413) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID50961413
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCc1nncn1C1CCCCC1
InChIInChI=1S/C16H30N4O/c1-13(10-16(2,3)21-4)17-11-15-19-18-12-20(15)14-8-6-5-7-9-14/h12-14,17H,5-11H2,1-4H3
InChIKeyNSEGXJUFPQNEMD-UHFFFAOYSA-N
XLogP3.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine (CID 50961413) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is NSEGXJUFPQNEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-13(10-16(2,3)21-4)17-11-15-19-18-12-20(15)14-8-6-5-7-9-14/h12-14,17H,5-11H2,1-4H3.
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 50961413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).